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CHEBI:9927 - valsartan

ChEBI IDCHEBI:9927
ChEBI Namevalsartan
Stars
DefinitionA monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group.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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC24H29N5O3
Net Charge0
Average Mass435.528
Monoisotopic Mass435.22704
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnnn2)cc1)[C@H](C(=O)O)C(C)C
InChIInChI=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
InChIKeyACWBQPMHZXGDFX-QFIPXVFZSA-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)
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 Relation(s)
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
valsartanChemIDplus
Synonyms  Source
DiovanKEGG DRUG
(S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valineIUPHAR
N-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valineChemIDplus
N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valineIUPAC
Manual XrefsDatabases
D00400KEGG DRUG
DB00177DrugBank
EP443983Patent
US5399578Patent
ValsartanWikipedia
HMDB0014323HMDB
LSM-2993LINCS
2806DrugCentral
Registry NumbersSources
Reaxys:7754038Reaxys
CAS:137862-53-4ChemIDplus