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CHEBI:9927 - valsartan

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ChEBI Name valsartan
ChEBI ID CHEBI:9927
Definition A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C24H29N5O3
Net Charge 0
Average Mass 435.51896
Monoisotopic Mass 435.227
InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
InChIKey ACWBQPMHZXGDFX-QFIPXVFZSA-N
SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
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): 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 valsartan (CHEBI:9927) has role angiotensin receptor antagonist (CHEBI:61016)
valsartan (CHEBI:9927) has role antihypertensive agent (CHEBI:35674)
valsartan (CHEBI:9927) has role environmental contaminant (CHEBI:78298)
valsartan (CHEBI:9927) has role xenobiotic (CHEBI:35703)
valsartan (CHEBI:9927) is a biphenylyltetrazole (CHEBI:48420)
valsartan (CHEBI:9927) is a monocarboxylic acid (CHEBI:25384)
valsartan (CHEBI:9927) is a monocarboxylic acid amide (CHEBI:29347)
Incoming Byvalson (CHEBI:132911) has part valsartan (CHEBI:9927)
IUPAC Name
N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine
INN Source
valsartan ChemIDplus
Synonyms Sources
(S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine IUPHAR
Diovan KEGG DRUG
N-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine ChemIDplus
N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine IUPAC
Database Links Databases
D00400 KEGG DRUG
DB00177 DrugBank
EP443983 Patent
HMDB14323 HMDB
LSM-2993 LINCS
US5399578 Patent
Valsartan Wikipedia
View more database links
Registry Numbers Types Sources
137862-53-4 CAS Registry Number ChemIDplus
7754038 Reaxys Registry Number Reaxys
7754038 Beilstein Registry Number Beilstein
Last Modified
03 August 2016
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag