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Traxoprodil
TRAXOPRODIL (developmental code name CP-101606) is a drug developed by Pfizer
Pfizer
which acts as an NMDA antagonist , selective for the NR2B subunit. It has neuroprotective , analgesic , and anti-Parkinsonian effects in animal studies. Traxoprodil
Traxoprodil
has been researched in humans as a potential treatment to lessen the damage to the brain after stroke , but results from clinical trials showed only modest benefit. The drug was found to cause EKG abnormalities (QT prolongation) and its clinical development was stopped. More recent animal studies have suggested traxoprodil may exhibit rapid-acting antidepressant effects similar to those of ketamine , although there is some evidence for similar psychoactive side effects and abuse potential at higher doses, which might limit clinical acceptance of traxoprodil for this application. Traxoprodil
Traxoprodil
showed ketamine -like rapidly-acting antidepressant effects in a small clinical trial of 30 patients with depression who were non-responders to 6 weeks of paroxetine treatment. The response rate was 60%, relative to 20% for placebo , and 33% of the participants met remission criteria by day five following a single administration. After one week, 78% of responders still showed an antidepressant response, and after 15 days, 42% did so
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Anatomical Therapeutic Chemical Classification System
The ANATOMICAL THERAPEUTIC CHEMICAL (ATC) CLASSIFICATION SYSTEM is used for the classification of active ingredients of drugs according to the organ or system on which they act and their therapeutic , pharmacological and chemical properties. It is controlled by the World Health Organization Collaborating Centre for Drug Statistics Methodology (WHOCC), and was first published in 1976. This pharmaceutical coding system divides drugs into different groups according to the organ or system on which they act and/or their therapeutic and chemical characteristics . Each bottom-level ATC code stands for a pharmaceutically used substance, or a combination of substances, in a single indication (or use). This means that one drug can have more than one code: acetylsalicylic acid (aspirin), for example, has A01AD05 (WHO) as a drug for local oral treatment, B01AC06 (WHO) as a platelet inhibitor , and N02BA01 (WHO) as an analgesic and antipyretic . On the other hand, several different brands share the same code if they have the same active substance and indications
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IUPAC Nomenclature Of Chemistry
The INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRY (IUPAC) has published four sets of rules to standardize CHEMICAL NOMENCLATURE . There are two main areas: * IUPAC nomenclature of inorganic chemistry (Red Book) * IUPAC nomenclature of organic chemistry (Blue Book) _ This chemistry -related article is a stub . You can help Wikipedia by expanding it ._ * v * t * e Retrieved from "https://en.wikipedia.org/w/index.php?title=IUPAC_nomenclature_of_chemistry additional terms may apply. By using this site, you agree to the Terms of Use and Privacy Policy .® is a registered trademark of the Wikimedia Foundation, Inc
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CAS Registry Number
A CAS REGISTRY NUMBER, also referred to as CASRN or CAS NUMBER, is a unique numerical identifier assigned by Chemical Abstracts Service (CAS) to every chemical substance described in the open scientific literature (currently including those described from at least 1957 through the present), including organic and inorganic compounds, minerals , isotopes , alloys and nonstructurable materials (UVCBs, of Unknown, Variable Composition, or Biological origin). The Registry maintained by CAS is an authoritative collection of disclosed chemical substance information. It currently identifies more than 129 million organic and inorganic substances and 67 million protein and DNA sequences, plus additional information about each substance. It is updated with around 15,000 additional new substances daily. CONTENTS * 1 Use * 2 Format * 3 Granularity * 4 Search engines * 5 See also * 6 Notes * 7 External links USE _ This section DOES NOT CITE ANY SOURCES . Please help improve this section by adding citations to reliable sources . Unsourced material may be challenged and removed . (June 2017)_ _(Learn how and when to remove this template message )_Historically, chemicals have been identified by a wide variety of synonyms. Frequently these are arcane and constructed according to regional naming conventions relating to chemical formulae, structures or origins
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Guide To Pharmacology
The IUPHAR/BPS GUIDE TO PHARMACOLOGY is an open-access website, acting as a portal to information on the biological targets of licensed drugs and other small molecules. The Guide to PHARMACOLOGY (with GtoPdb being the standard abbreviation) is developed as a joint venture between the International Union of Basic and Clinical Pharmacology (IUPHAR) and the British Pharmacological Society (BPS). This replaces and expands upon the original 2009 IUPHAR Database (standard abbreviation IUPHAR-DB) . The Guide to PHARMACOLOGY aims to provide a concise overview of all pharmacological targets, accessible to all members of the scientific and clinical communities and the interested public, with links to details on a selected set of targets. The information featured includes pharmacological data, target and gene nomenclature, as well as curated chemical information for ligands. Overviews and commentaries on each target family are included, with links to key references
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ChemSpider
CHEMSPIDER is a database of chemicals . ChemSpider is owned by the Royal Society of Chemistry . CONTENTS * 1 Database * 2 Crowdsourcing * 3 Searching * 4 Chemistry document mark-up * 5 History * 6 Services * 6.1 SyntheticPages * 6.2 Open PHACTS * 7 See also * 8 References DATABASEThe database contains information on more than 50 million molecules from over 500 data sources including: * EPA DSSTox * U.S. Food and Drug Administration (FDA) * Human Metabolome Database * Journal of Heterocyclic Chemistry * KEGG * KUMGM * LeadScope * LipidMAPS * Marinlit * MDPI * MICAD * MLSMR * MMDB * MOLI * MTDP * Nanogen * Nature Chemical Biology * NCGC * NIAID * National Institutes of Health (NIH) * NINDS Approved Drug Screening Program * NIST * NIST Chemistry WebBook * NMMLSC * NMRShiftDB * PANACHE * PCMD * PDSP * Peptides * Prous Science Drugs of the Future * QSAR * R in fact, the FAQ even states that only limited downloads are allowed: therefore the right to fork is not guaranteed and the project can't be considered free /open
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Unique Ingredient Identifier
The UNIQUE INGREDIENT IDENTIFIER (UNII) is a non-proprietary, free, unique, unambiguous, non-semantic, alphanumeric identifier linked to a substance's molecular structure or descriptive information by the Substance Registration System (SRS) of the Food and Drug Administration (FDA) and the United States Pharmacopeia (USP). The SRS is used to generate permanent, unique identifiers for substances in regulated products, such as ingredients in drug and biologic products. The SRS uses molecular structure and descriptive information to define a substance and generate the UNII. The primary means for defining a substance is by its molecular structure as represented on a two-dimensional plane. When a molecular structure is not available (e.g., botanicals), the UNII is defined by descriptive information. The procedures and management of the SRS is provided by the SRS Board which includes experts from both FDA and the United States Pharmacopoeia (USP). EXAMPLES PREFERRED TERM UNII Methadone hydrochloride 229809935B Methadone
Methadone
UC6VBE7V1Z Water
Water
059QF0KO0RREFERENCES * ^ "Substance Registration System – UNII Presentation". _fda.gov_. * ^ "Substance Registration System - Unique Ingredient Identifier (UNII)"
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KEGG
KEGG (KYOTO ENCYCLOPEDIA OF GENES AND GENOMES) is a collection of databases dealing with genomes , biological pathways , diseases , drugs , and chemical substances . KEGG is utilized for bioinformatics research and education, including data analysis in genomics , metagenomics , metabolomics and other omics studies, modeling and simulation in systems biology , and translational research in drug development . CONTENTS * 1 Introduction * 2 Databases * 2.1 Systems information * 2.2 Genomic information * 2.3 Chemical information * 2.4 Health information * 3 Subscription model * 4 See also * 5 References * 6 External links INTRODUCTIONThe KEGG database project was initiated in 1995 by Minoru Kanehisa, Professor at the Institute for Chemical Research, Kyoto University , under the then ongoing Japanese Human Genome Program . Foreseeing the need for a computerized resource that can be used for biological interpretation of genome sequence data , he started developing the KEGG PATHWAY database. It is a collection of manually drawn KEGG pathway maps representing experimental knowledge on metabolism and various other functions of the cell and the organism . Each pathway map contains a network of molecular interactions and reactions and is designed to link genes in the genome to gene products (mostly proteins ) in the pathway
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ChEMBL
CH EMBL or CHEMBLDB is a manually curated chemical database of bioactive molecules with drug-like properties. It is maintained by the European Bioinformatics Institute (EBI), of the European Molecular Biology Laboratory ( EMBL ), based at the Wellcome Trust Genome Campus , Hinxton, UK. The database, originally known as StARlite, was developed by a biotechnology company called Inpharmatica Ltd. later acquired by Galapagos NV . The data was acquired for EMBL in 2008 with an award from The Wellcome Trust , resulting in the creation of the ChEMBL chemogenomics group at EMBL-EBI, led by John Overington. CONTENTS * 1 Scope and access * 2 Associated resources * 3 See also * 4 References * 5 External links SCOPE AND ACCESSThe Ch EMBL database contains compound bioactivity data against drug targets. Bioactivity is reported in Ki, Kd, IC50, and EC50. Data can be filtered and analyzed to develop compound screening libraries for lead identification during drug discovery. Ch EMBL version 2 (ChEMBL_02) was launched in January 2010, including 2.4 million bioassay measurements covering 622,824 compounds, including 24,000 natural products
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ECHA InfoCard
The EUROPEAN CHEMICALS AGENCY (ECHA; /ˈɛkə/ _EK-ə_ ) is an agency of the European Union which manages the technical, scientific and administrative aspects of the implementation of the European Union regulation called Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). ECHA is the driving force among regulatory authorities in implementing the EU's chemicals legislation. ECHA helps companies to comply with the legislation, advances the safe use of chemicals, provides information on chemicals and addresses chemicals of concern. It is located in Helsinki
Helsinki
, Finland . The Agency, headed by Executive Director Geert Dancet , started working on 1 June 2007. CONTENTS * 1 Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) * 2 Classification, Labelling and Packaging of Substances and Mixtures (CLP) * 3 Biocidal Products Regulation (BPR) * 4 Prior Informed Consent (PIC) * 5 Controlling Hazardous Chemicals * 6 References * 7 See also * 8 External links REGISTRATION, EVALUATION, AUTHORISATION AND RESTRICTION OF CHEMICALS (REACH)THE REACH REGULATION requires companies to provide information on the hazards, risks and safe use of chemical substances that they manufacture or import. Companies register this information with ECHA and it is then freely available on their website
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Chemical Formula
A CHEMICAL FORMULA is a way of expressing information about the proportions of atoms that constitute a particular chemical compound , using a single line of chemical element symbols, numbers, and sometimes also other symbols, such as parentheses, dashes, brackets, commas and _plus_ (+) and _minus_ (−) signs. These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a chemical 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 , and are generally more limited in power than are chemical names and structural formulas. 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 simple _numbers_ of each type of atom in a molecule, with no information on structure. For example, the empirical formula for glucose is CH2O (twice as many hydrogen atoms as carbon and oxygen), while its molecular formula is C6H12O6 (12 hydrogen atoms, six carbon and oxygen atoms)
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Molar Mass
In chemistry , the MOLAR MASS _M_ is a physical property defined as the mass of a given substance (chemical element or chemical compound ) divided by the amount of substance . The base SI unit
SI unit
for molar mass is kg /mol . However, for historical reasons, molar masses are almost always expressed in g/mol. As an example, the molar mass of water: _M_(H2O) ≈ 6998180000000000000♠18 g/mol. CONTENTS * 1 Molar masses of elements * 2 Molar masses of compounds * 3 Average molar mass of mixtures * 4 Related quantities * 4.1 Molecular mass * 4.2 DNA
DNA
synthesis usage * 5 Precision and uncertainties * 6 Measurement * 6.1 Vapour density * 6.2 Freezing-point depression
Freezing-point depression
* 6.3 Boiling-point elevation
Boiling-point elevation
* 7 References * 8 External links MOLAR MASSES OF ELEMENTS Main articles: Relative atomic mass
Relative atomic mass
and Standard atomic weight
Standard atomic weight
The molar mass of atoms of an element is given by the Standard atomic weight of the element multiplied by the molar mass constant , _M_ u = 1 × 10−3 kg/mol = 1 g/mol: _M_(H) = 1.007 97(7) × 1 g/mol = 1.007 97(7) g/mol _M_(S) = 32.065(5) × 1 g/mol = 32.065(5) g/mol _M_(Cl) = 35.453(2) × 1 g/mol = 35.453(2) g/mol _M_(Fe) = 55.845(2) × 1 g/mol = 55.845(2) g/mol
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JSmol
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, or for research e.g., in chemistry and biochemistry . 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 (LGPL) version 2.0. A standalone application and a software development kit (SDK) 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 wide range of chemical file formats , including Protein Data Bank (pdb), Crystallographic Information File (cif), MDL Molfile (mol), and Chemical Markup Language (CML). There is also a JavaScript -only ( HTML5 ) 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
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Simplified Molecular-input Line-entry System
The SIMPLIFIED MOLECULAR-INPUT LINE-ENTRY SYSTEM (SMILES) 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 been modified and extended. In 2007, an open standard called "OpenSMILES" was developed in the open-source chemistry community. Other 'linear' notations include the Wiswesser Line Notation (WLN), ROSDAL and SLN . CONTENTS * 1 History * 2 Terminology * 3 Graph-based definition * 4 Description * 4.1 Atoms * 4.2 Bonds * 4.3 Rings * 4.4 Aromaticity
Aromaticity
* 4.5 Branching * 4.6 Stereochemistry * 4.7 Isotopes * 4.8 Examples * 4.9 Other examples of SMILES * 5 Extensions * 6 Conversion * 7 See also * 8 References * 9 Further reading * 10 External links * 10.1 SMILES related software utilities HISTORYThe original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1980s
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International Chemical Identifier
The IUPAC INTERNATIONAL CHEMICAL IDENTIFIER (INCHI /ˈɪntʃiː/ _IN-chee_ or /ˈɪŋkiː/ _ING-kee_ ) is a textual identifier for chemical substances , designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web. Initially developed by IUPAC and NIST from 2000 to 2005, the format and algorithms are non-proprietary. The continuing development of the standard has been supported since 2010 by the not-for-profit INCHI TRUST, of which IUPAC is a member. 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. CONTENTS * 1 Overview * 2 Format and layers * 3 Examples * 4 InChIKey * 4.1 InChI resolvers * 5 Name * 6 Continuing development * 7 Adoption * 8 See also * 9 Notes and references * 10 External links * 10.1 Documentation and presentations * 10.2 Software and services OVERVIEWThe identifiers describe chemical substances in terms of _layers_ of information — the atoms and their bond connectivity, tautomeric information, isotope information, stereochemistry , and electronic charge information
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Pfizer
Coordinates : 41°20′04″N 72°04′05″W / 41.3343429°N 72.06795°W / 41.3343429; -72.06795 PFIZER INC. /ˈfaɪzər/ is an American pharmaceutical corporation headquartered in New York City
New York City
, with its research headquarters in Groton , Connecticut. It is among the world's largest pharmaceutical companies. It is listed on the New York Stock Exchange , and its shares have been a component of the Dow Jones Industrial Average since 2004. Pfizer
Pfizer
develops and produces medicines and vaccines for a wide range of medical disciplines, including immunology , oncology , cardiology , diabetology/endocrinology, and neurology. Its products include the blockbuster drug Lipitor (atorvastatin ), used to lower LDL blood cholesterol; Lyrica (pregabalin ) for neuropathic pain/fibromyalgia; Diflucan (fluconazole ), an oral antifungal medication; Zithromax (azithromycin ), an antibiotic; Viagra (sildenafil ) for erectile dysfunction ; and Celebrex/Celebra (celecoxib ), an anti-inflammatory drug. Pfizer
Pfizer
was founded in 1849 by cousins Charles Pfizer and Charles F. Erhart in New York City
New York City
as a manufacturer of fine chemicals . Its discovery of Terramycin (oxytetracycline ) in 1950 put it on a path towards becoming a research-based pharmaceutical company
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