CHEBI:8892 - rosiglitazone maleate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rosiglitazone maleate
ChEBI ID CHEBI:8892
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H19N3O3S.C4H4O4
Net Charge 0
Average Mass 473.50004
Monoisotopic Mass 473.12567
InChI InChI=1S/C18H19N3O3S.C4H4O4/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-3(6)1-2-4(7)8/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey SUFUKZSWUHZXAV-BTJKTKAUSA-N
SMILES [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
ChEBI Ontology
Outgoing rosiglitazone maleate (CHEBI:8892) has part rosiglitazone (CHEBI:50122)
rosiglitazone maleate (CHEBI:8892) is a maleate salt (CHEBI:50221)
IUPAC Name
5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione (2Z)-but-2-enedioic acid
Synonyms Sources
BRL 49653C ChemIDplus
rosiglitazone maleate KEGG DRUG
Brand Name Source
Avandia DrugBank
Manual Xrefs Databases
D00596 KEGG DRUG
DB00412 DrugBank
View more database links
Registry Numbers Types Sources
155141-29-0 CAS Registry Number ChemIDplus
7966066 Beilstein Registry Number Beilstein
Last Modified
04 November 2008