CHEBI:3347 - candesartan

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ChEBI Name candesartan
ChEBI ID CHEBI:3347
Definition A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H20N6O3
Net Charge 0
Average Mass 440.45424
Monoisotopic Mass 440.15969
InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
InChIKey HTQMVQVXFRQIKW-UHFFFAOYSA-N
SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): angiotensin receptor antagonist
A hormone antagonist that blocks angiotensin receptors.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): 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.
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ChEBI Ontology
Outgoing candesartan (CHEBI:3347) has role angiotensin receptor antagonist (CHEBI:61016)
candesartan (CHEBI:3347) has role antihypertensive agent (CHEBI:35674)
candesartan (CHEBI:3347) has role environmental contaminant (CHEBI:78298)
candesartan (CHEBI:3347) has role xenobiotic (CHEBI:35703)
candesartan (CHEBI:3347) is a benzimidazolecarboxylic acid (CHEBI:35688)
candesartan (CHEBI:3347) is a biphenylyltetrazole (CHEBI:48420)
candesartan (CHEBI:3347) is conjugate acid of candesartan(2−) (CHEBI:149509)
Incoming candesartan(2−) (CHEBI:149509) is conjugate base of candesartan (CHEBI:3347)
IUPAC Name
2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid
Synonyms Sources
2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid ChemIDplus
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid IUPAC
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acid
Note: (2008-02-22) Misnomer
 IUPHAR
CV-11974 ChemIDplus
Brand Name Source
Blopress KEGG DRUG
Manual Xrefs Databases
C07468 KEGG COMPOUND
Candesartan Wikipedia
D00522 KEGG DRUG
DB00796 DrugBank
EP459136 Patent
HMDB0014934 HMDB
LSM-5903 LINCS
US5196444 Patent
View more database links
Registry Numbers Types Sources
139481-59-7 CAS Registry Number KEGG COMPOUND
139481-59-7 CAS Registry Number ChemIDplus
6377719 Reaxys Registry Number Reaxys
6377719 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
23713902 PubMed citation Europe PMC
24464858 PubMed citation Europe PMC
Last Modified
13 May 2020