EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172565 - N-desmethylrosiglitazone

ChEBI IDCHEBI:172565
ChEBI NameN-desmethylrosiglitazone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17N3O3S
Net Charge0
Average Mass343.408
Monoisotopic Mass343.09906
SMILESO=C1NC(=O)C(Cc2ccc(OCCNc3ccccn3)cc2)S1
InChIInChI=1S/C17H17N3O3S/c21-16-14(24-17(22)20-16)11-12-4-6-13(7-5-12)23-10-9-19-15-3-1-2-8-18-15/h1-8,14H,9-11H2,(H,18,19)(H,20,21,22)
InChIKeyZJQTVMXUIGXRMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
N-desmethylrosiglitazone (CHEBI:172565) is a aromatic ether (CHEBI:35618)
IUPAC Name 
5-[[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Manual XrefsDatabases
10172795ChemSpider
HMDB0060980HMDB
Registry NumbersSources
CAS:257892-31-2ChemIDplus