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CHEBI:3348 - Candesartan cilexetil

ChEBI IDCHEBI:3348
ChEBI NameCandesartan cilexetil
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC33H34N6O6
Net Charge0
Average Mass610.671
Monoisotopic Mass610.25398
SMILESCCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnnn2)cc1
InChIInChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)
InChIKeyGHOSNRCGJFBJIB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Candesartan cilexetil (CHEBI:3348) is a biphenyls (CHEBI:22888)
Synonyms  Source
Candesartan cilexetilKEGG COMPOUND
TCV 116DrugCentral
TCV-116DrugCentral
Manual XrefsDatabases
C07709KEGG COMPOUND
D00626KEGG DRUG
LSM-1716LINCS
475DrugCentral
Registry NumbersSources
CAS:145040-37-5KEGG COMPOUND