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CHEBI:82937 - hydroxypioglitazone

ChEBI IDCHEBI:82937
ChEBI Namehydroxypioglitazone
Stars
DefinitionA member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone.
Last Modified13 October 2014
Submitternamrata
DownloadsMolfile
FormulaC19H20N2O4S
Net Charge0
Average Mass372.446
Monoisotopic Mass372.11438
SMILESCC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C19H20N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11-12,17,22H,8-10H2,1H3,(H,21,23,24)
InChIKeyOXVFDZYQLGRLCD-UHFFFAOYSA-N
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
hydroxypioglitazone (CHEBI:82937) has functional parent pioglitazone (CHEBI:8228)
hydroxypioglitazone (CHEBI:82937) has role human xenobiotic metabolite (CHEBI:76967)
hydroxypioglitazone (CHEBI:82937) is a aromatic ether (CHEBI:35618)
hydroxypioglitazone (CHEBI:82937) is a pyridines (CHEBI:26421)
hydroxypioglitazone (CHEBI:82937) is a thiazolidinediones (CHEBI:50990)
IUPAC Name 
5-(4-{2-[5-(1-hydroxyethyl)pyridin-2-yl]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione
Registry NumbersSources
Reaxys:7493230Reaxys
Citations