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.
Supplier Information ChemicalBook:CB0209324, eMolecules:32278092, eMolecules:901501, Selleckchem:Candesartan(Atacand), ZINC000003782818
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Candesartan is an angiotensin receptor blocker used mainly for the treatment of high blood pressure and congestive heart failure. Candesartan has a very low maintenance dose. Like olmesartan, the metabolism of the drug is unusual as it is a cascading prodrug. Candesartan has good bioavailibility and is the most potent by weight of the AT-1 receptor antagonists. It was patented in 1990 and approved for medical use in 1997.
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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
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Registry Numbers Types Sources
139481-59-7 CAS Registry Number KEGG COMPOUND
139481-59-7 CAS Registry Number ChemIDplus
6377719 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
13 May 2020