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CHEBI:68850 - azilsartan

ChEBI IDCHEBI:68850
ChEBI Nameazilsartan
Stars
DefinitionA benzimidazolecarboxylic acid that is benzimidazole-7-carboxylic acid substituted at position 2 by a methoxy group and at position 1 by a 2'-[(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl group. Used (as the prodrug, azilsartan medoxomil) for treatment of hypertension.
Last Modified22 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC25H20N4O5
Net Charge0
Average Mass456.458
Monoisotopic Mass456.14337
SMILESCCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)n2)cc1
InChIInChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
InChIKeyKGSXMPPBFPAXLY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
Applications:
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
azilsartan (CHEBI:68850) has role angiotensin receptor antagonist (CHEBI:61016)
azilsartan (CHEBI:68850) has role antihypertensive agent (CHEBI:35674)
azilsartan (CHEBI:68850) is a 1,2,4-oxadiazole (CHEBI:46809)
azilsartan (CHEBI:68850) is a aromatic ether (CHEBI:35618)
azilsartan (CHEBI:68850) is a benzimidazolecarboxylic acid (CHEBI:35688)
Incoming Relation(s)
azilsartan medoxomil (CHEBI:68845) has functional parent azilsartan (CHEBI:68850)
IUPAC Name 
2-ethoxy-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
INN  Source
azilsartanKEGG DRUG
Synonyms  Source
TAK-536ChemIDplus
TAK 536ChemIDplus
Manual XrefsDatabases
D08864KEGG DRUG
WO2012107814Patent
US2005187269Patent
EP1787647Patent
AzilsartanWikipedia
Registry NumbersSources
Reaxys:7673311Reaxys
CAS:147403-03-0KEGG DRUG
CAS:147403-03-0ChemIDplus
Citations