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CHEBI:3347 - candesartan

ChEBI IDCHEBI:3347
ChEBI Namecandesartan
Stars
DefinitionA 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.
Last Modified13 May 2020
DownloadsMolfile
FormulaC24H20N6O3
Net Charge0
Average Mass440.463
Monoisotopic Mass440.15969
SMILESCCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnnn2)cc1
InChIInChI=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)
InChIKeyHTQMVQVXFRQIKW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
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 (Brønsted base).
Biological Roles:
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.
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)
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 Relation(s)
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  Source
2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acidChemIDplus
CV-11974ChemIDplus
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acidIUPAC
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acidIUPHAR
Brand Name  Source
BlopressKEGG DRUG
Manual XrefsDatabases
C07468KEGG COMPOUND
D00522KEGG DRUG
DB00796DrugBank
EP459136Patent
US5196444Patent
CandesartanWikipedia
HMDB0014934HMDB
LSM-5903LINCS
Registry NumbersSources
Reaxys:6377719Reaxys
CAS:139481-59-7KEGG COMPOUND
CAS:139481-59-7ChemIDplus
Citations