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Valsartan Nitroso Impurity 163

CAT: 1299-RM-V192163-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V192163-01Size:10 mg
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CAS Number
2851532-34-6
Synonyms
Methyl N- ((2'- (2H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -N-nitroso-D-valinate
Molecular Formula
C20H22N6O3
Molecular Weight
394.44
Target Alternative Name
Valsartan
Product Name Synonym
Methyl N- ((2'- (2H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -N-nitroso-D-valinate

Chemical Information

Valsartan Nitroso Impurity 163
CAS Number2851532-34-6
PubChem CID178247671
IUPAC Namemethyl (2R)-3-methyl-2-[nitroso-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
Molecular FormulaC20H22N6O3
Molecular Weight394.4
XLogP3.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity540
SMILES
CC(C)[C@H](C(=O)OC)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)N=O
InChI
InChI=1S/C20H22N6O3/c1-13(2)18(20(27)29-3)26(25-28)12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19-21-23-24-22-19/h4-11,13,18H,12H2,1-3H3,(H,21,22,23,24)/t18-/m1/s1
InChIKey
JBFJLETZIOUPNG-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Valsartan Nitroso Impurity 163
CAS: 2851532-34-6
CID: 178247671
Formula: C20H22N6O3
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass394.17533859
Monoisotopic Mass394.17533859
Topological Polar Surface Area113 Ų
Heavy Atom Count29
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-V06020-01Valsartan Nitroso Impurity (N1)
CS-O-33514N-nitroso Valsartan Desvaleryl Impurity
CS-O-58525N-Nitroso Valsartan Impurity 52
CS-EO-00596N-Nitroso Valsartan Impurity 2
AR-V06358-01N-Nitroso Valsartan Impurity 54
AR-V06350-01N-Nitroso Valsartan Impurity 48
CS-O-52319N-Nitroso-Desvaleryl-valsartan cyano impurity
CS-O-33517N-Nitroso Valsartan 2-tetrazol impurity
CS-O-35829N-Nitroso N-Devaleryl Valsartan methyl ester Impurity (mixture of isomers)
GTR19305301-01N-Nitroso Valsartan

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