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CHEBI:31183 - alclofenac

Default Structure
ChEBI IDCHEBI:31183
ChEBI Namealclofenac
Stars
DefinitionAn aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash.
Last Modified7 March 2019
DownloadsMolfile
FormulaC11H11ClO3
Net Charge0
Average Mass226.659
Monoisotopic Mass226.03967
SMILESC=CCOc1ccc(CC(=O)O)cc1Cl
InChIInChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)
InChIKeyARHWPKZXBHOEEE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Applications:
drug allergen  Any drug which causes the onset of an allergic reaction.
non-steroidal anti-inflammatory drug  An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
ChEBI Ontology
Outgoing Relation(s)
alclofenac (CHEBI:31183) has role drug allergen (CHEBI:88188)
alclofenac (CHEBI:31183) has role non-narcotic analgesic (CHEBI:35481)
alclofenac (CHEBI:31183) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
alclofenac (CHEBI:31183) is a aromatic ether (CHEBI:35618)
alclofenac (CHEBI:31183) is a monocarboxylic acid (CHEBI:25384)
alclofenac (CHEBI:31183) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name 
[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid
INNs  Source
alclofenacChemIDplus
alclofénacWHO MedNet
alclofenacoChemIDplus
alclofenacumChemIDplus
Synonyms  Source
3-Chloro-4-(2-propenyloxy)benzeneacetic acidChemIDplus
[4-(allyloxy)-3-chlorophenyl]acetic acidIUPAC
(4-Allyloxy-3-chlorphenyl)essigsäureChemIDplus
Manual XrefsDatabases
107DrugCentral
AlclofenacWikipedia
BE704368Patent
D01252KEGG DRUG
Registry NumbersSources
Reaxys:2116510Reaxys
CAS:22131-79-9ChemIDplus
CAS:22131-79-9KEGG DRUG
Citations