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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 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) ≈ 6998180148800000000♠18.01488 g/mol
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Chemical Formula
A CHEMICAL FORMULA is a way of information about the chemical proportions of atoms that constitute a particular chemical compound or molecule, using 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
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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
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
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International Chemical Identifier
The IUPAC
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 (International Union of Pure and Applied Chemistry) and NIST (National Institute of Standards and Technology) 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
IUPAC
is a member. The current software version is 1.05 and was released in January 2017. 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
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Route Of Administration
A ROUTE OF ADMINISTRATION in pharmacology and toxicology is the path by which a drug , fluid, poison, or other substance is taken into the body. Routes of administration are generally classified by the location at which the substance is applied. Common examples include oral and intravenous administration. Routes can also be classified based on where the target of action is. Action may be topical (local), enteral (system-wide effect, but delivered through the gastrointestinal tract), or parenteral (systemic action, but delivered by routes other than the GI tract)
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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
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JSmol
JMOL is computer software for molecular modelling chemical structures in 3-dimensions . Jmol
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
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
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ChemSpider
CHEMSPIDER is a database of chemicals . ChemSpider
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 63 million molecules from over 280 data sources including: * EPA DSSTox * U.S
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Drug Metabolism
DRUG METABOLISM is the metabolic breakdown of drugs by living organisms , usually through specialized enzymatic systems. More generally, XENOBIOTIC METABOLISM (from the Greek xenos "stranger" and biotic "related to living beings") is the set of metabolic pathways that modify the chemical structure of xenobiotics , which are compounds foreign to an organism's normal biochemistry, such any drug or poison . These pathways are a form of biotransformation present in all major groups of organisms, and are considered to be of ancient origin. These reactions often act to detoxify poisonous compounds (although in some cases the intermediates in xenobiotic metabolism can themselves cause toxic effects). The study of drug metabolism is called pharmacokinetics . The metabolism of pharmaceutical drugs is an important aspect of pharmacology and medicine . For example, the rate of metabolism determines the duration and intensity of a drug's pharmacologic action
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Pharmacokinetics
PHARMACOKINETICS (from Ancient Greek
Ancient Greek
pharmakon "drug" and kinetikos "moving, putting in motion"; see chemical kinetics ), sometimes abbreviated as PK, is a branch of pharmacology dedicated to determining the fate of substances administered to a living organism. The substances of interest include any chemical xenobiotic such as: pharmaceutical drugs , pesticides , food additives , cosmetics , etc. It attempts to analyze chemical metabolism and to discover the fate of a chemical from the moment that it is administered up to the point at which it is completely eliminated from the body . Pharmacokinetics
Pharmacokinetics
is the study of how an organism affects a drug, whereas pharmacodynamics (PD) is the study of how the drug affects the organism. Both together influence dosing , benefit, and adverse effects , as seen in PK/PD models
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Excretion
EXCRETION is the process by which metabolic wastes and other non-useful materials, such as faeces, are eliminated from an organism . In vertebrates this is primarily carried out by the lungs , kidneys and skin . This is in contrast with secretion , where the substance may have specific tasks after leaving the cell . Excretion
Excretion
is an essential process in all forms of life. For example, in mammals urine is expelled through the urethra , which is part of the excretory system . In unicellular organisms , waste products are discharged directly through the surface of the cell. Green plants produce carbon dioxide and water as respiratory products. In green plants, the carbon dioxide released during respiration gets utilized during photosynthesis. Oxygen
Oxygen
is a by product generated during photosynthesis , and exits through stomata , root cell walls, and other routes
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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 the Chemical Abstracts Service (CAS) to every chemical substance described in the open scientific literature (currently including all substances described from 1957 through the present, plus some substances from the early or mid 1900s), 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
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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 by expanding it
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Dimethyllysergamide
N,N-DIMETHYLLYSERGAMIDE or N,N-DIMETHYL-D-LYSERGAMIDE (DAM-57) is a derivative of ergine . There has been a single report of observing N,N-dimethyl-D-lysergamide in the illicit drug market. This compound did induce autonomic disturbances at oral levels of some ten times the dosage required for LSD, presumably in the high hundreds of micrograms. There is some disagreement as to whether there were psychic changes observed. REFERENCES * ^ A. B
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