Molecular Identity
Valsartan
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
PubChem CID: 60846
Valsartan is a monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group.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. It has a role as an antihypertensive agent, a xenobiotic, an angiotensin receptor antagonist and an environmental contaminant. It is a monocarboxylic acid, a monocarboxylic acid amide and a biphenylyltetrazole.
2D Structure
Properties
C24H29N5O3
Molecular Formula
435.50
Molecular Weight
g/mol
435.2270
Exact Mass
Da
4.4
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
608
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)OIsomeric SMILES
SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)OSynonyms(20)
valsartan137862-53-4DiovanCGP 48933CGP-48933Prexxartan(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acidN-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valineNSC-75892780M03YXJ7IL-Valine, N-(1-oxopentyl)-N-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-CHEBI:9927DAFIRO COMPONENT VALSARTANCOPALIA COMPONENT VALSARTANEXFORGE COMPONENT VALSARTAN
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Valsartan
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