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Valsartan Decarboxylic Acid

CAT: 1596-AR-V01136-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V01136-01Size:10 Units
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CAS Number
1314799-74-0
Synonyms
N- ((2'- (1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methyl) -N-isobutylpentanamide; N- (2-Methylpropyl) -N-[[2'- (2H-tetrazol-5-yl) [1,1'-biphenyl]-4-yl]methyl]pentanamide
Molecular Formula
C23H29N5O
Molecular Weight
391.52
API Name
Valsartan

Chemical Information

Valsartan Decarboxylic Acid
CAS Number1314799-74-0
PubChem CID102597982
IUPAC NameN-(2-methylpropyl)-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide
Molecular FormulaC23H29N5O
Molecular Weight391.5
XLogP4.8
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity492
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)CC(C)C
InChI
InChI=1S/C23H29N5O/c1-4-5-10-22(29)28(15-17(2)3)16-18-11-13-19(14-12-18)20-8-6-7-9-21(20)23-24-26-27-25-23/h6-9,11-14,17H,4-5,10,15-16H2,1-3H3,(H,24,25,26,27)
InChIKey
QMAQKWMYJDPUDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Valsartan Decarboxylic Acid
CAS: 1314799-74-0
CID: 102597982
Formula: C23H29N5O
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass391.23721057
Monoisotopic Mass391.23721057
Topological Polar Surface Area74.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
CS-EO-00126Valsartan Decarboxylic Acid
GTR19232517-01Valsartan Acid
CS-O-08389Valsartan Acid Ethyl Ester
CS-O-08390Valsartan Acid Isopropyl Ester
TRC-V152700-25MGDes-[(S)-3-Methyl-2-pentanamidobutanoic Acid] Valsartan 4’-Azidomethyl
TRC-V138400-250MGDes-[(S)-3-Methyl-2-pentanamidobutanoic Acid] Valsartan 4’-Bromomethyl
NFA40233-01Des-[ (S) -3-methyl-2-pentanamidobutanoic acid] valsartan 4’-bromomethyl
TRC-V152710-25MGDes-[(S)-3-Methyl-2-pentanamidobutanoic Acid] Valsartan 4’-Azidomethyl Sodium Salt
H91254-Hydroxy Valsartan ((S) -2-{ (4-Hydroxy-pentanoyl) -[2’- (1H-tetrazol-5-yl) -biphenyl-4-ylmethyl]amino}-3-methyl-butyric Acid)
MBS6035033-014-Hydroxy Valsartan ((S) -2-{ (4-Hydroxy-pentanoyl) -[2'- (1H-tetrazol-5-yl) -biphenyl-4-ylmethyl]amino}-3-methyl-butyric Acid)

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