EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72014 - tolmetin sodium dihydrate

Default Structure
ChEBI IDCHEBI:72014
ChEBI Nametolmetin sodium dihydrate
Stars
DefinitionAn organic sodium salt that is the dihydrate form of tolmetin sodium. Used as a nonselective nonsteroidal anti-inflammatory drug.
Last Modified6 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC15H14NO3.2H2O.Na
Net Charge0
Average Mass315.301
Monoisotopic Mass315.10827
SMILESCc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.O.O.[Na+]
InChIInChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1
InChIKeyQQILXENAYPUNEA-UHFFFAOYSA-M
Wikipedia
Roles Classification
Biological Role:
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor  A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes.
Application:
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.
ChEBI Ontology
Outgoing Relation(s)
tolmetin sodium dihydrate (CHEBI:72014) has part tolmetin sodium (CHEBI:9619)
tolmetin sodium dihydrate (CHEBI:72014) has role EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor (CHEBI:35544)
tolmetin sodium dihydrate (CHEBI:72014) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
tolmetin sodium dihydrate (CHEBI:72014) is a hydrate (CHEBI:35505)
tolmetin sodium dihydrate (CHEBI:72014) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate—water (1/2)
INN  Source
TolectinKEGG DRUG
Synonyms  Source
Sodium 1-methyl-5-p-toluoylpyrrole-2-acetate dihydrateChemIDplus
Sodium tolmetin dihydrateChemIDplus
Tolmetin sodiumKEGG DRUG
Tolmetin sodium dihydrateKEGG DRUG
Tolumetin sodium dihydrateChemIDplus
Manual XrefsDatabases
D00158KEGG DRUG
DB00500DrugBank
Tolmetin_sodiumWikipedia
US4255335Patent
Registry NumbersSources
Reaxys:13339052Reaxys
CAS:64490-92-2KEGG DRUG
CAS:64490-92-2ChemIDplus
Citations