1.
Jmol
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Jmol is computer software for molecular modelling chemical structures in 3-dimensions. Jmol returns a 3D representation of a molecule that may be used as a teaching tool and it is written in the programming language Java, so it can run on the operating systems Windows, macOS, Linux, and Unix, if Java is installed. It is free and open-source software released under a GNU Lesser General Public License version 2.0, a standalone application and a software development kit exist that can be integrated into other Java applications, such as Bioclipse and Taverna. A popular feature is an applet that can be integrated into web pages to display molecules in a variety of ways, for example, molecules can be displayed as ball-and-stick models, space-filling models, ribbon diagrams, etc. Jmol supports a range of chemical file formats, including Protein Data Bank, Crystallographic Information File, MDL Molfile. There is also a JavaScript-only version, JSmol, that can be used on computers with no Java, the Jmol applet, among other abilities, offers an alternative to the Chime plug-in, which is no longer under active development. While Jmol has many features that Chime lacks, it does not claim to reproduce all Chime functions, most notably, Chime requires plug-in installation and Internet Explorer 6.0 or Firefox 2.0 on Microsoft Windows, or Netscape Communicator 4.8 on Mac OS9. Jmol requires Java installation and operates on a variety of platforms. For example, Jmol is fully functional in Mozilla Firefox, Internet Explorer, Opera, Google Chrome, fast and Scriptable Molecular Graphics in Web Browsers without Java3D
2.
ChemSpider
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ChemSpider is a database of chemicals. ChemSpider is owned by the Royal Society of Chemistry, the database contains information on more than 50 million molecules from over 500 data sources including, Each chemical is given a unique identifier, which forms part of a corresponding URL. This is an approach to develop an online chemistry database. The search can be used to widen or restrict already found results, structure searching on mobile devices can be done using free apps for iOS and for the Android. The ChemSpider database has been used in combination with text mining as the basis of document markup. The result is a system between chemistry documents and information look-up via ChemSpider into over 150 data sources. ChemSpider was acquired by the Royal Society of Chemistry in May,2009, prior to the acquisition by RSC, ChemSpider was controlled by a private corporation, ChemZoo Inc. The system was first launched in March 2007 in a release form. ChemSpider has expanded the generic support of a database to include support of the Wikipedia chemical structure collection via their WiChempedia implementation. A number of services are available online. SyntheticPages is an interactive database of synthetic chemistry procedures operated by the Royal Society of Chemistry. Users submit synthetic procedures which they have conducted themselves for publication on the site and these procedures may be original works, but they are more often based on literature reactions. Citations to the published procedure are made where appropriate. They are checked by an editor before posting. The pages do not undergo formal peer-review like a journal article. The comments are moderated by scientific editors. The intention is to collect practical experience of how to conduct useful chemical synthesis in the lab, while experimental methods published in an ordinary academic journal are listed formally and concisely, the procedures in ChemSpider SyntheticPages are given with more practical detail. Comments by submitters are included as well, other publications with comparable amounts of detail include Organic Syntheses and Inorganic Syntheses
3.
International Chemical Identifier
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Initially developed by IUPAC and NIST from 2000 to 2005, the format and algorithms are non-proprietary. The continuing development of the standard has supported since 2010 by the not-for-profit InChI Trust. The current version is 1.04 and was released in September 2011, prior to 1.04, the software was freely available under the open source LGPL license, but it now uses a custom license called IUPAC-InChI Trust License. Not all layers have to be provided, for instance, the layer can be omitted if that type of information is not relevant to the particular application. InChIs can thus be seen as akin to a general and extremely formalized version of IUPAC names and they can express more information than the simpler SMILES notation and differ in that every structure has a unique InChI string, which is important in database applications. Information about the 3-dimensional coordinates of atoms is not represented in InChI, the InChI algorithm converts input structural information into a unique InChI identifier in a three-step process, normalization, canonicalization, and serialization. The InChIKey, sometimes referred to as a hashed InChI, is a fixed length condensed digital representation of the InChI that is not human-understandable. The InChIKey specification was released in September 2007 in order to facilitate web searches for chemical compounds and it should be noted that, unlike the InChI, the InChIKey is not unique, though collisions can be calculated to be very rare, they happen. In January 2009 the final 1.02 version of the InChI software was released and this provided a means to generate so called standard InChI, which does not allow for user selectable options in dealing with the stereochemistry and tautomeric layers of the InChI string. The standard InChIKey is then the hashed version of the standard InChI string, the standard InChI will simplify comparison of InChI strings and keys generated by different groups, and subsequently accessed via diverse sources such as databases and web resources. Every InChI starts with the string InChI= followed by the version number and this is followed by the letter S for standard InChIs. The remaining information is structured as a sequence of layers and sub-layers, the layers and sub-layers are separated by the delimiter / and start with a characteristic prefix letter. The six layers with important sublayers are, Main layer Chemical formula and this is the only sublayer that must occur in every InChI. The atoms in the formula are numbered in sequence, this sublayer describes which atoms are connected by bonds to which other ones. Describes how many hydrogen atoms are connected to each of the other atoms, the condensed,27 character standard InChIKey is a hashed version of the full standard InChI, designed to allow for easy web searches of chemical compounds. Most chemical structures on the Web up to 2007 have been represented as GIF files, the full InChI turned out to be too lengthy for easy searching, and therefore the InChIKey was developed. With all databases currently having below 50 million structures, such duplication appears unlikely at present, a recent study more extensively studies the collision rate finding that the experimental collision rate is in agreement with the theoretical expectations. Example, Morphine has the structure shown on the right, as the InChI cannot be reconstructed from the InChIKey, an InChIKey always needs to be linked to the original InChI to get back to the original structure
4.
Simplified molecular-input line-entry system
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The simplified molecular-input line-entry system is a specification in form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules, the original SMILES specification was initiated in the 1980s. It has since modified and extended. In 2007, a standard called OpenSMILES was developed in the open-source chemistry community. Other linear notations include the Wiswesser Line Notation, ROSDAL and SLN, the original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1980s. The Environmental Protection Agency funded the project to develop SMILES. It has since modified and extended by others, most notably by Daylight Chemical Information Systems. In 2007, a standard called OpenSMILES was developed by the Blue Obelisk open-source chemistry community. Other linear notations include the Wiswesser Line Notation, ROSDAL and SLN, in July 2006, the IUPAC introduced the InChI as a standard for formula representation. SMILES is generally considered to have the advantage of being slightly more human-readable than InChI, the term SMILES refers to a line notation for encoding molecular structures and specific instances should strictly be called SMILES strings. However, the term SMILES is also used to refer to both a single SMILES string and a number of SMILES strings, the exact meaning is usually apparent from the context. The terms canonical and isomeric can lead to confusion when applied to SMILES. The terms describe different attributes of SMILES strings and are not mutually exclusive, typically, a number of equally valid SMILES strings can be written for a molecule. For example, CCO, OCC and CC all specify the structure of ethanol, algorithms have been developed to generate the same SMILES string for a given molecule, of the many possible strings, these algorithms choose only one of them. This SMILES is unique for each structure, although dependent on the algorithm used to generate it. These algorithms first convert the SMILES to a representation of the molecular structure. A common application of canonical SMILES is indexing and ensuring uniqueness of molecules in a database, there is currently no systematic comparison across commercial software to test if such flaws exist in those packages. SMILES notation allows the specification of configuration at tetrahedral centers, and these are structural features that cannot be specified by connectivity alone and SMILES which encode this information are termed isomeric SMILES
5.
Chemical formula
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These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a name, and it contains no words. Although a chemical formula may imply certain simple chemical structures, it is not the same as a full chemical structural formula. Chemical formulas can fully specify the structure of only the simplest of molecules and chemical substances, the simplest types of chemical formulas are called empirical formulas, which use letters and numbers indicating the numerical proportions of atoms of each type. Molecular formulas indicate the numbers of each type of atom in a molecule. For example, the formula for glucose is CH2O, while its molecular formula is C6H12O6. This is possible if the relevant bonding is easy to show in one dimension, an example is the condensed molecular/chemical formula for ethanol, which is CH3-CH2-OH or CH3CH2OH. For reasons of structural complexity, there is no condensed chemical formula that specifies glucose, chemical formulas may be used in chemical equations to describe chemical reactions and other chemical transformations, such as the dissolving of ionic compounds into solution. A chemical formula identifies each constituent element by its chemical symbol, in empirical formulas, these proportions begin with a key element and then assign numbers of atoms of the other elements in the compound, as ratios to the key element. For molecular compounds, these numbers can all be expressed as whole numbers. For example, the formula of ethanol may be written C2H6O because the molecules of ethanol all contain two carbon atoms, six hydrogen atoms, and one oxygen atom. Some types of compounds, however, cannot be written with entirely whole-number empirical formulas. An example is boron carbide, whose formula of CBn is a variable non-whole number ratio with n ranging from over 4 to more than 6.5. When the chemical compound of the consists of simple molecules. These types of formulas are known as molecular formulas and condensed formulas. A molecular formula enumerates the number of atoms to reflect those in the molecule, so that the formula for glucose is C6H12O6 rather than the glucose empirical formula. However, except for very simple substances, molecular chemical formulas lack needed structural information, for simple molecules, a condensed formula is a type of chemical formula that may fully imply a correct structural formula. For example, ethanol may be represented by the chemical formula CH3CH2OH
6.
Morphine
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Morphine is a pain medication of the opiate type which is found naturally in a number of plants and animals. It acts directly on the nervous system to decrease the feeling of pain. It can be taken for both pain and chronic pain. Morphine is frequently used for pain from myocardial infarction and during labour and it can be given by mouth, by injection into a muscle, by injecting under the skin, intravenously, into the space around the spinal cord, or rectally. Maximum effect is around 20 min when given intravenously and 60 min when given by mouth while duration of effect is three and seven hours. Potentially serious side effects include a decreased respiratory effort and low blood pressure, morphine has a high potential for addiction and abuse. If the dose is reduced after long-term use, withdrawal may occur, common side effects include drowsiness, vomiting, and constipation. Caution is advised when used during pregnancy or breast feeding, as morphine will affect the baby, morphine was first isolated between 1803 and 1805 by Friedrich Sertürner. This is generally believed to be the first isolation of an ingredient from a plant. Merck began marketing it commercially in 1827, morphine was more widely used after the invention of the hypodermic syringe in 1853–1855. Sertürner originally named the substance morphium after the Greek god of dreams, the primary source of morphine is isolation from poppy straw of the opium poppy. In 2013, an estimated 523,000 kilograms of morphine were produced, about 45,000 kilograms were used directly for pain, an increase over the last twenty years of four times. Most use for this purpose was in the developed world, about 70% of morphine is used to make other opioids such as hydromorphone, oxycodone and heroin. It is a Schedule II drug in the United States, Class A in the United Kingdom and it is on the World Health Organizations List of Essential Medicines, the most effective and safe medicines needed in a health system. Morphine is sold under trade names. Morphine is used primarily to treat both acute and chronic severe pain and it is also used for pain due to myocardial infarction and for labor pains. Its duration of analgesia is about three to seven hours, however, concerns exist that morphine may increase mortality in the setting of non ST elevation myocardial infarction. Morphine has also traditionally used in the treatment of acute pulmonary edema
7.
Dihydromorphine
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Dihydromorphine is a semi-synthetic opioid structurally related to and derived from morphine. The 7, 8-double bond in morphine is reduced to a bond to get dihydromorphine. Dihydromorphine is a strong analgesic and is used clinically in the treatment of pain. Dihydromorphine occurs in quantities in assays of opium on occasion, as does dihydrocodeine, dihydrothebaine, tetrahydrothebaine. A high-yield synthesis from tetrahydrothebaine was later developed, dihydromorphine, often labelled with the isotope tritium in the form of -dihydromorphine, is used in scientific research to study binding of the opioid receptors in the nervous system. Dihydromorphine is slightly stronger than morphine as an analgesic with a side effect profile. The relative potency of dihydromorphine is about 1.2 times that of morphine, in comparison, the relative potency of dihydrocodeine is 1.15 times that of codeine. Dihydromorphine acts as an agonist at the μ-opioid, δ-opioid and κ-opioid receptors, agonist of the μ-opioid and δ-opioid receptors is largely responsible for the clinical effects of opioids like dihydromorphine with the μ agonism providing more analgesia than the δ. Dihydromorphines onset of action is more rapid than morphine and it tends to have a longer duration of action. Under the 1961 international Single Convention on Narcotic Drugs treaty dihydromorphine is a Schedule I narcotic subject to control, under the Controlled Substances Act, dihydromorphine is listed as a Schedule I substance along with heroin. The DEA has assigned dihydromorphine and all of its salts, esters, dihydromorphine is regulated in the same fashion as morphine in Germany under the BtMG, Austrian SMG, and Swiss BtMG, where it is still used as an analgesic. The drug was invented in Germany in 1900 and marketed shortly thereafter and it is often used in Patient Controlled Analgesia units
8.
Dihydrocodeine
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Dihydrocodeine is a semi-synthetic opioid analgesic prescribed for pain or severe dyspnea, or as an antitussive, either alone or compounded with paracetamol or aspirin. It was developed in Germany in 1908 and first marketed in 1911, as with codeine, intravenous administration should be avoided, as it could result in anaphylaxis and life-threatening pulmonary edema. In the past, dihydrocodeine suppositories were used, Dihydrocodeine is available in suppository form on prescription. Dihydrocodeine is used as an alternative or adjunct to codeine for the aforementioned indications, the salt to free base conversion factors are 0.67 for the bitartrate,0.73 for the phosphate, and 0.89 for the hydrochloride. a. It is similar in structure to codeine. Dihydrocodeine is twice as strong as codeine, approved indication for dihydrocodeine is the management of moderate to moderately severe pain as well as coughing and shortness of breath. Controlled-release dihydrocodeine is available for pain and coughing, as indicated below, as waxy tablets containing 60 to 120 mg of the drug. Some formulations, intended for use against coughing and the like, have other ingredients such as antihistamines, decongestants. Other oral formulations, such as packets of effervescent powder, sublingual drops, elixirs, injectable dihydrocodeine is most often given as a deep subcutaneous shot. In the United States, the most common analgesic brands with dihydrocodeine are, DHC Plus, Panlor SS, ZerLor, Panlor DC and these combination products also include paracetamol and caffeine. Aspirin is used in the case of Synalgos DC, Dihydrocodeine is sometimes marketed in combination preparations with paracetamol as co-dydramol to provide greater pain relief than either agent used singly. In the UK and other countries, 30-mg tablets containing only dihydrocodeine as the active ingredient are available, the original dihydrocodeine product, Paracodin, is an elixir of dihydrocodeine hydroiodide also available as a Tussionex-style suspension in many European countries. The usual strengths are 60,90, and 120 mg and these tablets are used in some countries, such as Austria, as an alternative to methadone for management of opiate addiction. Common trade names for the tablets are Didor Continus, Codidol, Codi-Contin, Dicodin, Contugesic, DHC. These two formulations may have once contained phenyltoloxamine citrate as the antihistamine component, elsewhere in the Pacific Rim, Dicogesic in analogous to Glaxo/Smith-Klines DF-118. The manufacturer of New Bron Solution-ACE, SS Pharmaceutical Co, ltd, also markets an ibuprofen with dihydrocodeine product called S. Tac EVE, which also includes d, l-methylephedrine HCl, chlorpheniramine, anhydrous caffeine, and vitamins B1 and C. The Panlor series is manufactured by Pan-American Laboratories of Covington, Louisiana, as with other opioids, tolerance and physical and psychological dependence develop with repeated dihydrocodeine use. All opioids can impair the mental and/or physical abilities required for the performance of potentially hazardous tasks such as driving or operating machinery if taken in large doses, the antihistamine promethazine may also have a positive effect on hepatic metabolism of dihydrocodeine as it does with codeine
9.
Heroin
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Heroin, also known as diamorphine among other names, is an opiate typically used as a recreational drug for its euphoric effects. Medically it is used to relieve pain and as a form of opioid replacement therapy alongside counseling. Heroin is typically injected, usually into a vein, however, onset of effects is usually rapid and lasts for a few hours. Common side effects include respiratory depression and about a quarter of those who use heroin become physically dependent, other side effects can include abscesses, infected heart valves, blood borne infections, constipation, and pneumonia. After a history of use, withdrawal symptoms can begin within hours of last use. When given by injection into a vein, heroin has two to three times the effect as a dose of morphine. It typically comes as a white or brown powder, treatment of heroin addiction often includes behavioral therapy and medications. Medications used may include methadone or naltrexone, a heroin overdose may be treated with naloxone. An estimated 17 million people as of 2015 use opiates such as heroin, the total number of opiate users has increased from 1998 to 2007 after which it has remained more or less stable. In the United States about 1.6 percent of people have used heroin at some point in time, when people die from overdosing on a drug, the drug is usually an opioid. Heroin was first made by C. R. Alder Wright in 1874 from morphine, internationally, heroin is controlled under Schedules I and IV of the Single Convention on Narcotic Drugs. It is generally illegal to make, possess, or sell heroin without a license, in 2015 Afghanistan produced about 66% of the worlds opium. Often heroin, which is sold, is mixed with other substances such as sugar or strychnine. The original trade name of heroin is typically used in non-medical settings and it is used as a recreational drug for the euphoria it induces. Anthropologist Michael Agar once described heroin as the perfect whatever drug, tolerance develops quickly, and increased doses are needed in order to achieve the same effects. Its popularity with recreational users, compared to morphine, reportedly stems from its perceived different effects. In particular, users report an intense rush, an acute transcendent state of euphoria, while other opioids of recreational use produce only morphine, heroin also leaves 6-MAM, also a psycho-active metabolite. Equipotent injected doses had comparable action courses, with no difference in subjects self-rated feelings of euphoria, ambition, nervousness, relaxation, drowsiness, short-term addiction studies by the same researchers demonstrated that tolerance developed at a similar rate to both heroin and morphine
10.
Iodine-131
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Iodine-131, is an important radioisotope of iodine discovered by Glenn Seaborg and John Livingood in 1938 at the University of California, Berkeley. It has a radioactive decay half-life of about eight days and it is associated with nuclear energy, medical diagnostic and treatment procedures, and natural gas production. This is because I-131 is a fission product of uranium and plutonium. See fission product yield for a comparison with other fission products. I-131 is also a major product of uranium-233, produced from thorium. Due to its mode of decay, iodine-131 is notable for causing mutation and death in cells that it penetrates. For this reason, high doses of the isotope are sometimes less dangerous than low doses, for example, children treated with moderate dose of I-131 for thyroid adenomas had a detectable increase in thyroid cancer, but children treated with a much higher dose did not. Thus, iodine-131 is increasingly employed in small doses in medical use. This is known as therapeutic use, iodine-131 can be seen by nuclear medicine imaging techniques whenever it is given for therapeutic use, since about 10% of its energy and radiation dose is via gamma radiation. The isotope I-131 is still used for purely diagnostic work. Very small medical imaging doses of I-131 have not shown any increase in thyroid cancer, by contrast, other iodine radioisotopes are usually created by far more expensive techniques, starting with reactor radiation of expensive capsules of pressurized xenon gas. Iodine-131 is also one of the most commonly used gamma-emitting radioactive industrial tracer, radioactive tracer isotopes are injected with hydraulic fracturing fluid to determine the injection profile and location of fractures created by hydraulic fracturing. These studies suppose that cancers happen from residual tissue radiation damage caused by the I-131, other studies cant find a correlation. Most I-131 production is from nuclear reactor neutron-irradiation of a natural tellurium target, however, the heaviest naturally occurring tellurium nuclide, Te-130 absorbs a neutron to become tellurium-131, which beta-decays with a half-life of 25 minutes, to I-131. A tellurium compound can be irradiated while bound as an oxide to an ion exchange column, more commonly, powdered elemental tellurium is irradiated and then I-131 separated from it by dry distillation of the iodine, which has a far higher vapor pressure. The element is then dissolved in an alkaline solution in the standard manner, to produce I-131 as iodide. 131I is a product with a yield of 2. 878% from uranium-235. However, the short half-life means it is not present in significant quantities in cooled spent nuclear fuel, I-131 decays with a half-life of 8.02 days with beta minus and gamma emissions
11.
PubMed Identifier
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PubMed is a free search engine accessing primarily the MEDLINE database of references and abstracts on life sciences and biomedical topics. The United States National Library of Medicine at the National Institutes of Health maintains the database as part of the Entrez system of information retrieval, from 1971 to 1997, MEDLINE online access to the MEDLARS Online computerized database primarily had been through institutional facilities, such as university libraries. PubMed, first released in January 1996, ushered in the era of private, free, home-, the PubMed system was offered free to the public in June 1997, when MEDLINE searches via the Web were demonstrated, in a ceremony, by Vice President Al Gore. Information about the journals indexed in MEDLINE, and available through PubMed, is found in the NLM Catalog. As of 5 January 2017, PubMed has more than 26.8 million records going back to 1966, selectively to the year 1865, and very selectively to 1809, about 500,000 new records are added each year. As of the date,13.1 million of PubMeds records are listed with their abstracts. In 2016, NLM changed the system so that publishers will be able to directly correct typos. Simple searches on PubMed can be carried out by entering key aspects of a subject into PubMeds search window, when a journal article is indexed, numerous article parameters are extracted and stored as structured information. Such parameters are, Article Type, Secondary identifiers, Language, publication type parameter enables many special features. As these clinical girish can generate small sets of robust studies with considerable precision, since July 2005, the MEDLINE article indexing process extracts important identifiers from the article abstract and puts those in a field called Secondary Identifier. The secondary identifier field is to store numbers to various databases of molecular sequence data, gene expression or chemical compounds. For clinical trials, PubMed extracts trial IDs for the two largest trial registries, ClinicalTrials. gov and the International Standard Randomized Controlled Trial Number Register, a reference which is judged particularly relevant can be marked and related articles can be identified. If relevant, several studies can be selected and related articles to all of them can be generated using the Find related data option, the related articles are then listed in order of relatedness. To create these lists of related articles, PubMed compares words from the title and abstract of each citation, as well as the MeSH headings assigned, using a powerful word-weighted algorithm. The related articles function has been judged to be so precise that some researchers suggest it can be used instead of a full search, a strong feature of PubMed is its ability to automatically link to MeSH terms and subheadings. Examples would be, bad breath links to halitosis, heart attack to myocardial infarction, where appropriate, these MeSH terms are automatically expanded, that is, include more specific terms. Terms like nursing are automatically linked to Nursing or Nursing and this important feature makes PubMed searches automatically more sensitive and avoids false-negative hits by compensating for the diversity of medical terminology. The My NCBI area can be accessed from any computer with web-access, an earlier version of My NCBI was called PubMed Cubby
12.
7-Hydroxymitragynine
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7-Hydroxymitragynine is a terpenoid indole alkaloid from the plant Mitragyna speciosa, commonly known as Kratom. In mice, it is active and has analgesic effects. As a partial agonist at this receptor it causes significantly less side effects than morphine, like constipation, development of tolerance, the O-acetyl ester, 7-acetoxymitragynine has also been reported and found to be an active μ-opioid agonist. - synthesis of 7-hydroxymitragynine from mitragynine
13.
Acetyldihydrocodeine
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Acetyldihydrocodeine is an opiate derivative discovered in Germany in 1914 and was used as a cough suppressant and analgesic. It is not commonly used, but has activity similar to other opiates, acetyldihydrocodeine is a very close relative derivative of Thebacon, where only the 6-7 double bond is unsaturated. Acetyldihydrocodeine can be described as the 6-acetyl derivative of dihydrocodeine and is metabolised in the liver by demethylation and deacetylation to produce dihydromorphine, since acetyldihydrocodeine has higher lipophilicity than codeine and is converted into dihydromorphine rather than morphine, it can be expected to be more potent and longer-lasting. It also has a higher bioavailability than codeine, side effects are similar to those of other opiates and include itching, nausea and respiratory depression. Although an opioid of low to moderate strength and use in medicine elsewhere in the world and its DEA Administrative Controlled Substances Control Number is 9051 and the one salt in use, acetyldihydrocodeine hydrochloride, has a freebase conversion ratio of 0.90
14.
Acetylfentanyl
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Acetylfentanyl is an opioid analgesic drug that is an analog of fentanyl. Studies have estimated acetylfentanyl to be fifteen times more potent than morphine and it has never been licensed for medical use and instead only been sold as a designer drug. Acetylfentanyl was discovered at the time as fentanyl itself and had only rarely been encountered on the illicit market in the late 1980s. However, in 2013, Canadian police seized 3 kilograms of acetylfentanyl, as a μ-opioid receptor agonist, acetylfentanyl may serve as a direct substitute for heroin or other opioids. Side effects of fentanyl analogs are similar to those of fentanyl itself, which include itching, nausea and potentially serious respiratory depression, which can be life-threatening. Acetylfentanyl has been confirmed in 32 fatalities in four European member states between 2013 and August 2015, Germany, Poland, Sweden and the United Kingdom. Twelve deaths have been associated with acetylfentanyl in Russia since 2012, after confirming five overdoses in one county, including a fatality, Pennsylvania asked coroners and medical examiners across the state to screen for acetylfentanyl. In July 2015, the DEA informed about 52 confirmed fatalities involving acetylfentanyl in the United States between 2013 and 2015, one fatal poisoning caused by intravenous injection of a bath salt product containing acetylfentanyl and 4-Methoxy-α-pyrrolidinoheptiophenone has been reported in 2016. As an analog of fentanyl, acetylfentanyl is a Schedule I controlled drug, as of October,2015 acetylfentanyl is a controlled substance in China. Acetylfentanyl is a Schedule I controlled substance as of May 2015, acetylfentanyl is illegal in Switzerland as of December 2015. Acetylfentanyl was made a class A drug as an analogue of fentanyl in 1986, acetylfentanyl overdosage has been reported to closely resemble heroin overdosage clinically. Additionally, while naloxone is effective in treating acetylfentanyl overdose, larger than normal doses of the antidote may be required, postmortem peripheral blood acetylfentanyl concentrations have been in a range of 89–945 μg/L in victims of acute overdosage. 3-Methylbutyrfentanyl 3-Methylfentanyl 4-Fluorofentanyl α-Methylfentanyl Butyrfentanyl Furanylfentanyl List of Fentanyl analogues Stogner, the Potential Threat of Acetyl Fentanyl, Legal Issues, Contaminated Heroin, and Acetyl Fentanyl Disguised as Other Opioids
15.
AH-7921
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AH-7921 is an opioid analgesic drug selective for the µ-opioid receptor, having around 80% the potency of morphine when administered orally. It was discovered in the 1970s by a team at Allen, although AH-7921 was extensively studied in vitro and in animals, though not in humans, by the developing company, it was never sold commercially for medical use. In 2013, AH-7921 was discovered to have used as an active ingredient in synthetic cannabis products in Japan. In October 2015, two trained by owner-trainer Roy Sedlacek tested positive for AH-7921 at Belmont Park racetrack. AH-7921 was made a Prohibited Substance in Australia in May 2014, although this amendment was repealed in June 2014, which simply means the amendment document ceases, but the actual scheduling is permanent as part of the main document. It may, however, still be a banned import, AH-7921 has been illegal to distribute in Israel since December 2013. In the UK, AH-7921 was included as a Class A drug in January 2015 as part of The Misuse of Drugs Act 1971 Order 2014, in Brazil, AH-7921 has been an illegal drug since May 2015. As of October 2015 AH-7921 is a substance in China. AH-7921 is banned in the Czech Republic, in the United States, AH-7921 was placed into Schedule I of the Controlled Substances Act on May 16,2016. The Canadian Controlled Drugs and Substances Act was amended in 2016 to include the substance as a Schedule I substance, possession without legal authority can result in maximum 7 years imprisonment. Further, Health Canada amended the Food and Drug Regulations in May,2016 to classify AH-7921 as a restricted drug, only those with a law enforcement agency, person with an exemption permit or institutions with Ministers authorization may possess the drug in Canada
16.
Anileridine
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Anileridine is a synthetic analgesic drug and is a member of the piperidine class of analgesic agents developed by Merck & Co. in the 1950s. It differs from pethidine in that the N-methyl group of meperidine is replaced by an N-aminophenethyl group, anileridine is no longer manufactured in the US or Canada. Anileridine is in Schedule II of the Controlled Substances Act 1970 of the United States as ACSCN9020 with a zero aggregate manufacturing quota as of 2014. The free base conversion ratio for salts includes 0.83 for the dihydrochloride and 0.73 for the phosphate It is also under international control per UN treaties, anileridine usually takes effect within 15 minutes of either oral or intravenous administration, and lasts 2–3 hours. It is mostly metabolized by the liver
17.
Beta-Endorphin
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β-Endorphin is an endogenous opioid neuropeptide found in the neurons of both the central and peripheral nervous system. It is one of five endorphins found in humans, the others of which include α-endorphin, γ-endorphin, α-neoendorphin, the amino acid sequence is, Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-Leu-Phe-Lys-Asn-Ala-Ile-Ile-Lys-Asn-Ala-Tyr-Lys-Lys-Gly-Glu. The first 16 amino acids are identical to α-Endorphin, β-Endorphin is a peptide,31 amino acids long, resulting from processing of the precursor proopiomelanocortin. β-Endorphin is found in neurons of the hypothalamus, as well as the pituitary gland, β-Endorphin was discovered in camel pituitary extracts by C. H. It is used as an analgesic in the body to numb or dull pains and that is the reason why humans start to feel better immediately after an acute physical trauma even though the symptoms are still present. The reason the pain dulls is because it binds to and activates opioid receptors, β-Endorphin has approximately 18 to 33 times the analgesic potency of morphine, though its hormonal effect is species dependent. β-Endorphin release in response to exercise has been known and studied since at least the 1980s, studies have demonstrated that serum concentrations of endogenous opioids, in particular β-endorphin and β-lipotrophin, increase in response to both acute exercise and training. The release of β-endorphin during exercise is associated with a phenomenon known in popular culture as a runners high. CID16132316 from PubChem - β-endorphin CID3081525 from PubChem - β-endorphin CID133304 from PubChem - β-endorphin β-endorphin at the US National Library of Medicine Medical Subject Headings
18.
Benzhydrocodone
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Benzhydrocodone is a opioid prodrug of the morphinan class. Its chemical structure consists of hydrocodone coupled with benzoic acid, benzhydrocodone itself is inactive and acts as a prodrug to hydrocodone upon cleavage of the benzoate portion of the molecule. It is designed to be an analgesic with a low chance of recreational use. Created by a company in Coralville, Iowa. President and CEO, Travis Mickle, believes the molecular-based approach to abuse deterrent may be effective than many formulation-based approaches
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Benzylmorphine
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Benzylmorphine is a semi-synthetic opioid narcotic introduced to the international market in 1896 and that of the United States very shortly thereafter. It is much like codeine, containing a group attached to the morphine molecule just as the methyl group creates codeine. It is about 90 per cent as strong as codeine by weight and this drug, the benzyl ether of morphine, should not be cofused with dibenzoylmorphine, an ester of morphine comparable to heroin. Another morphine ether developed around the time, benzyldihydromorphine, saw some clinical use in the opening years of the 20th Century. The ethers of morphine and codeine as well as dihydromorphine and dihydrocodeine number close to 100 and include such obscure opioids as formylallopseudoisocodeine. Benzylmorphine is used in much the way as codeine and ethylmorphine, primarily as a moderate strength analgesic, for eye surgery as a 1 to 2 per cent solution. Benzylmorphine is a metabolite of the opioid analgesic myrophine, formed in the liver. It has a fate similar to that of codeine. Benzylmorphine is used as the hydrochloride and methylsulphonate and has a US DEA Administrative Controlled Substance Control Number of 9052, Merck Manual,1900 Merck Index,1998 United States Department of Justice, Drug Enforcement Administration, Controlled Substances in Schedule I
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Bezitramide
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Bezitramide itself is a prodrug which is readily hydrolyzed in the gastrointestinal tract to its main metabolite, despropionyl-bezitramide. Bezitramide was discovered at Janssen Pharmaceutica in 1961 and it is most commonly marketed under the trade name Burgodin. However, it has to this point never been marketed in the United States
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Biphalin
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Biphalin is a dimeric enkephalin endogenous peptide 2 composed of two tetrapeptides derived from enkephalins, connected tail-to-tail by a hydrazide bridge. The presence of two distinct pharmacophores confers on biphalin a high affinity for both μ and δ opioid receptors, therefore it has analgesic activity, biphalin presents a considerable antinociceptive profile. The extraordinary in vivo potency shown by this compound is coupled with low side-effects, in particular, for these reasons, several efforts have been carried out in order to obtain more information about structure-activity relationship. The hydrazide linker is not fundamental for activity or binding, and it can be conveniently substituted by different conformationally constrained cycloaliphatic diamine linkers
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Butyrfentanyl
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Butyr-fentanyl or butyrylfentanyl is a potent short-acting synthetic opioid analgesic drug. It is an analogue of fentanyl with around one quarter the potency of fentanyl, one of the first mentions of this drug can be found in document written by The College on Problem of Drug Dependence, where it is mentioned as N-butyramide fentanyl analog. This document also states that the article describing its clinical effects was published in 1987 and it is an agonist for the μ-opioid receptors. Butyrfentanyl has no current legitimate clinical applications, however it is being sold as designer drug, Butyrfentanyl is illegal in the United Kingdom as it is a modification of fentanyl by replacement of the N-propionyl group by another acyl group. Side effects of fentanyl analogs are similar to those of fentanyl itself, which include itching, nausea and potentially serious respiratory depression, Butyrfentanyl binds to the opioid receptor. The studies in studies on binding affinity achieved the same order of analogues. It means that butyrfentantyl is a less potent opioid-agonist than fentanyl, high cross-reactivity may be the effect of the shape of the molecule - the shape of butyrfentanyl is closest to the original fentanyl molecule, which makes it easy to bind by fentanyl antibodies. The opioid receptor affinity of fentanyl and its analogs was determined from their potency in a binding assay with fentanyl as the radioligand. The Ki value for butyrfentanyl was Ki=32 ±4.1 nM, comparing to fentanyls Ki, butyrfentanyls ability to displace fentanyl is low and it requires high concentrations of the drug. During behavioral studies there was no evidence of causing adverse effects which accompany fentanyls use, animals injected with 45μg/kg i. v. showed no behavioral responses in mice, straub tail, truncal and limbs rigidity, respiratory depression. These responses where observed in animals injected with 15 μg/kg fentanyl i. v, urinary concentrations of butyrylfentanyl from animals injected with 15 μg/kg and 45 μg/kg i. v. were measured by two techniques, radioreceptorassay and gas chromatography/mass spectrometry. There is a proposal being discussed by the UN Commission on Narcotic Drugs to include Butyrfentanyl in Schedule 1 of the 1961 Single Convention on Narcotic Drugs and this will be voted on by member states on the 16th March 2017. As of May 2016 Butyrfentanyl is a Schedule I controlled substance in the United States, as of October 2015 Butyrfentanyl is a controlled substance in China. Butyrfentanyl is illegal in Switzerland as of December 2015, 3-Methylbutyrfentanyl 4-Fluorobutyrfentanyl 4-Fluorofentanyl α-Methylfentanyl Acetylfentanyl Benzylfentanyl Furanylfentanyl List of Fentanyl analogues
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BW373U86
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-BW373U86 is an opioid analgesic drug used in scientific research. BW373U86 is a selective agonist for the receptor, with approximately 15x stronger affinity for the δ-opioid than the μ-opioid receptor. It has potent analgesic and antidepressant effects in animal studies, in studies on rats, BW373U86 appears to protect heart muscle cells from apoptosis in conditions of ischemia. The mechanism for this is complex and may be separate from its delta agonist effects
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Carfentanil
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Carfentanil or carfentanyl is an analog of the synthetic opioid analgesic fentanyl. It is 10,000 times more potent than morphine, making it among the most potent commercially used opioids, carfentanil was first synthesized in 1974 by a team of chemists at Janssen Pharmaceutica which included Paul Janssen. It is marketed under the trade name Wildnil as an anaesthetic agent for large animals. Side effects of carfentanil are similar to those of fentanyl, which include itching, nausea and respiratory depression, carfentanil is classified as Schedule II under the Controlled Substances Act in the United States with a DEA ACSCN of 9743 and a 2016 annual aggregate manufacturing quota of 19 grams. In 2016, carfentanil was identified as an additive in heroin sold in Ohio and its short action, easy reversibility and therapeutic index would make it a potential agent for this purpose. Previously, Wax et al. had surmised from the evidence that the Moscow emergency services had not been informed of the use of the agent. 4-Phenylfentanyl Lofentanil N-Methylcarfentanil Sufentanil Opioid comparison R-30490
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Cebranopadol
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As of November 2014, it is in phase III clinical trials. The ED50 values of 0. 5-5.6 µg/kg when introduced IV &25.1 µg/kg after oral administration, Cebranopadol shows highly potent and effective antinociceptive and antihypertensive effects in a variety of different animal models of pain. Notably, it has also found to be more potent in models of chronic neuropathic pain than acute nociceptive pain compared to selective μ-opioid receptor agonists. Relative to morphine, tolerance to the effects of cebranopadol has been found to be delayed. In addition, unlike morphine, cebranopadol has not been found to affect motor coordination or reduce respiration in animals at doses in or over the range for analgesia. As such, it may have improved and prolonged efficaciousness and greater tolerability in comparison to currently available opioid analgesics, etorphine Norbuprenorphine Mitragynine AT-076 About Cebranopadol - Oceanic Program Cebranopadol Search Results - ClinicalTrials. gov
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DAMGO
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DAMGO is a synthetic opioid peptide with high μ-opioid receptor specificity. It was synthesized as a biologically stable analog of δ-opioid receptor-preferring endogenous opioids, leu-, DAMGO has been used in experimental settings for the possibility of alleviating or reducing opiate tolerance for patients under the treatment of an opioid
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Dermorphin
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Dermorphin is a hepta-peptide first isolated from the skin of South American frogs belonging to the genus Phyllomedusa. The peptide is an opioid that binds as an agonist with high potency. Dermorphin is about 30–40 times more potent than morphine but theoretically may be likely to produce drug tolerance. The amino acid sequence of dermorphin is H-Tyr-D-Ala-Phe-Gly-Tyr-Pro-Ser-NH2, dermorphin is not found in humans or other mammals and similar D-amino acid peptides have only been found in bacteria, amphibians and molluscs. Dermorphin appears to be made in these through an unusual posttranslational modification carried out by an amino acid isomerase, dermorphin has been illegally used in horse racing as a performance-enhancing drug. Due to dermorphins painkilling activity, horses treated with dermorphin may run harder than they would otherwise
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