valsartan

valsartan

CAS: 137862-53-4

Formula: C24H29N5O3

SMILES: CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O

IUPAC: (2S)-3-methyl-2-(N-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}pentanamido)butanoic acid

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

Composition: C (66.19%), H (6.71%), N (16.08%), O (11.02%)

Molar Mass: 435.528

Atom Count: 61

Heavy Atom Count: 32

Properties

Properties

Common Names	Vals; aventis brand of valsartan; cepa brand of valsartan; diovan hct; esteve brand of valsartan; kalpress; lacer brand of valsartan; miten; nisis; novartis brand of valsartan; provas; sanol brand of valsartan; schwarz brand of valsartan; tareg; valsarran; valsartan; valsartan (product); valsartan (substance); valsartan preparation; walsartan
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	435.227039814
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ACWBQPMHZXGDFX-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity	134.77
Topological Polar Surface Area	112.07
Polarizability	48.58
Ring Count	3
Rotatable Bond Count	10

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