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CHEBI:49662 - indometacin

ChEBI IDCHEBI:49662
ChEBI Nameindometacin
Stars
DefinitionA member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.
Secondary ChEBI IDsCHEBI:5918, CHEBI:49660
Last Modified15 June 2017
DownloadsMolfile

FormulaC19H16ClNO4
Net Charge0
Average Mass357.793
Monoisotopic Mass357.07679
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyCGIGDMFJXJATDK-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
INNs  Source
indometacine  frChemIDplus
indometacinum  laChemIDplus
indometacinChemIDplus
indometacina  esChemIDplus
Synonyms  Source
IndomethacinKEGG COMPOUND
IndocinChemIDplus
1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acidChemIDplus
{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acidPDBeChem
Brand Names  Source
AconipKEGG DRUG
IndocinKEGG DRUG
Manual XrefsDatabases
C01926KEGG COMPOUND
D00141KEGG DRUG
IMNPDBeChem
IndometacinWikipedia
DB00328DrugBank
US3161654Patent
BE379378Patent
CPD-10545MetaCyc
HMDB0014473HMDB
C00030512KNApSAcK
LSM-3275LINCS
1440DrugCentral
Registry NumbersSources
Beilstein:497341Beilstein
Gmelin:1446006Gmelin
Reaxys:497341Reaxys
CAS:53-86-1KEGG COMPOUND
CAS:53-86-1ChemIDplus
CAS:53-86-1NIST Chemistry WebBook
Citations