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.
Supplier Information ChemicalBook:CB04918833, ChemicalBook:CB4454663, eMolecules:901986, eMolecules:32278040, Selleckchem:Irbesartan(Avapro), ZINC000003872931
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Formula C25H28N6O
Net Charge 0
Average Mass 428.52966
Monoisotopic Mass 428.23246
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
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Registry Numbers Types Sources
138402-11-6 CAS Registry Number KEGG COMPOUND
138402-11-6 CAS Registry Number ChemIDplus
6620400 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag