chempirical

Valsartan

C24H29N5O3CAS 137862-53-4435.53 g/mol

Open in Covalent MOL file
ONNNHNNOHO
AmideCarboxylic acid

Properties

Molecular formula
C24H29N5O3
Molar mass
435.53 g/mol
Exact mass
435.2270 Da
Melting point
116–117 °C
logP
4.16Crippen estimate
Polar surface area
112.1 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
137862-53-4
SMILES
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C
InChIKey
ACWBQPMHZXGDFX-QFIPXVFZSA-N
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • L-Valine, N-(1-oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
  • L-Valine, N-(1-oxopentyl)-N-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-
  • N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine
  • CGP 48933
  • Diovan
  • Tareg
  • Nisis
  • Valsartanin
  • Cardopan
  • Valsarect
  • Vazar
  • (2S)-3-Methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid

Work with Valsartan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine phenylmethyl ester137863-20-874 % similar Sacubitril-valsartan936623-90-453 % similar Irbesartan138402-11-652 % similar Losartan carboxylic acid124750-92-145 % similar Olmesartan144689-24-741 % similar Losartan114798-26-440 % similar Losartan carboxaldehyde114798-36-640 % similar Candesartan139481-59-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook