CHEBI:3348 - Candesartan cilexetil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Candesartan cilexetil
ChEBI ID CHEBI:3348
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C33H34N6O6
C33H34N6O6
Net Charge 0
Average Mass 610.661
Monoisotopic Mass 610.25398
InChI InChI=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)
InChIKey GHOSNRCGJFBJIB-UHFFFAOYSA-N
SMILES CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
ChEBI Ontology
Outgoing Candesartan cilexetil (CHEBI:3348) is a biphenyls (CHEBI:22888)
Synonyms Sources
Candesartan cilexetil KEGG COMPOUND
TCV 116 DrugCentral
TCV-116 DrugCentral
Manual Xrefs Databases
475 DrugCentral
C07709 KEGG COMPOUND
D00626 KEGG DRUG
LSM-1716 LINCS
View more database links
Registry Number Type Source
145040-37-5 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017