CHEBI:5959 - irbesartan

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ChEBI Name irbesartan
ChEBI ID CHEBI:5959
Definition A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H28N6O
Net Charge 0
Average Mass 428.52966
Monoisotopic Mass 428.232
InChI InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)
InChIKey YOSHYTLCDANDAN-UHFFFAOYSA-N
SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(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.
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): antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
angiotensin receptor antagonist
A hormone antagonist that blocks angiotensin receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing irbesartan (CHEBI:5959) has role angiotensin receptor antagonist (CHEBI:61016)
irbesartan (CHEBI:5959) has role antihypertensive agent (CHEBI:35674)
irbesartan (CHEBI:5959) has role environmental contaminant (CHEBI:78298)
irbesartan (CHEBI:5959) has role xenobiotic (CHEBI:35703)
irbesartan (CHEBI:5959) is a azaspiro compound (CHEBI:35624)
irbesartan (CHEBI:5959) is a biphenylyltetrazole (CHEBI:48420)
IUPAC Name
2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one
INN Source
irbesartan ChemIDplus
Synonyms Sources
2-butyl-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one IUPAC
BMS 186295 ChemIDplus
Irbesartan KEGG COMPOUND
Brand Name Source
Avapro KEGG DRUG
Manual Xrefs Databases
1481 DrugCentral
C07469 KEGG COMPOUND
D00523 KEGG DRUG
DB01029 DrugBank
Irbesartan Wikipedia
LSM-3338 LINCS
US5270317 Patent
WO9114679 Patent
View more database links
Registry Numbers Types Sources
138402-11-6 CAS Registry Number KEGG COMPOUND
138402-11-6 CAS Registry Number ChemIDplus
6620400 Reaxys Registry Number Reaxys
6620400 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
15101793 PubMed citation Europe PMC
15210574 PubMed citation Europe PMC
15526904 PubMed citation Europe PMC
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag