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CHEBI:5959 - irbesartan

Default Structure
ChEBI IDCHEBI:5959
ChEBI Nameirbesartan
Stars
DefinitionA biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.
Last Modified22 February 2017
DownloadsMolfile
FormulaC25H28N6O
Net Charge0
Average Mass428.540
Monoisotopic Mass428.23246
SMILESCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnnn2)cc1
InChIInChI=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)
InChIKeyYOSHYTLCDANDAN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
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:
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.
ChEBI Ontology
Outgoing Relation(s)
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
irbesartanChemIDplus
Synonyms  Source
2-butyl-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-oneIUPAC
BMS 186295ChemIDplus
IrbesartanKEGG COMPOUND
Brand Name  Source
AvaproKEGG DRUG
Manual XrefsDatabases
1481DrugCentral
C07469KEGG COMPOUND
D00523KEGG DRUG
DB01029DrugBank
IrbesartanWikipedia
LSM-3338LINCS
US5270317Patent
WO9114679Patent
Registry NumbersSources
Reaxys:6620400Reaxys
CAS:138402-11-6KEGG COMPOUND
CAS:138402-11-6ChemIDplus
Citations