AG00IIWL

952652-79-8 | Valsartan n-Propyl

AG00IIWL

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CAS Number	952652-79-8
Catalog Number	AG00IIWL(AGN-PC-0W4V8Z)
Chemical Name	Valsartan n-Propyl
IUPAC Name	(2S)-2-[butanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoic acid
InChI	InChI=1S/C23H27N5O3/c1-4-7-20(29)28(21(15(2)3)23(30)31)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)22-24-26-27-25-22/h5-6,8-13,15,21H,4,7,14H2,1-3H3,(H,30,31)(H,24,25,26,27)/t21-/m0/s1
InChI Key	OKAQHVJSXLGXET-NRFANRHFSA-N
MDL Number	MFCD19689078
Molecular Formula	C23H27N5O3
Molecular Weight	421.4922
SMILES	CCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnn[nH]3)[C@@H](C(C)C)C(=O)O
UNII	4GS9P3LL2L
Synonyms	952652-79-8, (S)-2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)butyramido)-3-methylbutanoic acid, Despentanoyl butanoyl valsartan, UNII-4GS9P3LL2L, 4GS9P3LL2L, [(S-N-BUTYRYL-N-([2'-(1H-TETRAZOLE-5-YL)BIPHEN-4-YL]METHYL)-VALINE), Valsartan n-Propyl Impurity, (2S)-2-(Butanoyl((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)-3-methylbutanoic acid, (S)-2-(N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)butyramido)-3-methylbutanoic acid, Valsartan related compound B, (2S)-2-[Butanoyl[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]-3-methylbutanoic Acid, Valsartan n-Propyl, Valsartan related compound B [USP], Valsartan specified impurity C [EP], Valsartan related compound B RS [USP], SCHEMBL684206, CTK8B8225, DTXSID40241798, 6389AC, ANW-59704, SC1425, ZINC65749016, ACN-026592, L-Valine, N-(1-oxobutyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, AK-40722, AB0088238, AX8164353, TC-148449, FT-0675774, ST24035906, Valsartan Related Compound B, United States Pharmacopeia (USP) Reference Standard, (2S)-2-[butanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoic acid, (2S)-2-[butanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoic acid, (2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)butanamido]butanoic acid, Valsartan Related Compound B, Pharmaceutical Secondary Standard; Certified Reference Material, Valsartan EP Impurity C, C23H27N5O3, CB11821, CS-O-08394, (S)-N-Butyryl-N-{[2'-(1H-tetrazole-5-yl)-biphenyl-4-yl]-methyl}-valine, 95% - 10MG 10mg,

Complexity	594
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	421.211g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	421.501g/mol
Monoisotopic Mass	421.211g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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