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Valsartan n-Propyl

CAS No.:
952652-79-8
Catalog Number:
AG00IIWL
Molecular Formula:
C23H27N5O3
Molecular Weight:
421.4922
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Product Description
Catalog Number:
AG00IIWL
Chemical Name:
Valsartan n-Propyl
CAS Number:
952652-79-8
Molecular Formula:
C23H27N5O3
Molecular Weight:
421.4922
MDL Number:
MFCD19689078
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
SMILES:
CCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1
UNII:
4GS9P3LL2L
Properties
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  
Properties