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ent-Valsartan

CAT: 0572-TRC-V095755-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V095755-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137862-87-4
Synonyms
Valsartan Imp. A (EP); Valsartan USP Related Compound A; Valsartan USP RC A; (2R)-3-Methyl-2-[pentanoyl[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]butanoic Acid; CGP 49309, D-Valsartan, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-D-Valine, Valsartan Related Compound A (USP), Valsartan Imp A (EP); Valsartan Related Compound A; Valsartan Impurity A
Hazard Statement
May damage fertility or the unborn child
Purity
>95% (HPLC)
Smiles
CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnn[nH]3)[C@H](C(C)C)C(=O)O
Molecular Formula
C24 H29 N5 O3
Molecular Weight
435.52
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-/m1/s1
Additionnal Information
IUPAC name: (2R)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Valsartan, D-
CAS Number137862-87-4
PubChem CID5284633
IUPAC Name(2R)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Molecular FormulaC24H29N5O3
Molecular Weight435.5
XLogP4.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity608
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@H](C(C)C)C(=O)O
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-/m1/s1
InChIKey
ACWBQPMHZXGDFX-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Valsartan, D-
CAS: 137862-87-4
CID: 5284633
Formula: C24H29N5O3
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass435.22703980
Monoisotopic Mass435.22703980
Topological Polar Surface Area112 Ų
Heavy Atom Count32
Formal Charge0
Complexity608
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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