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Valsartan n-Propyl Impurity

CAT: 0572-TRC-V095770-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V095770-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
952652-79-8
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
CCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nnn[nH]3)[C@@H](C(C)C)C(=O)O
Molecular Formula
C23H27N5O3
Molecular Weight
421.49
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Despentanoyl butanoyl valsartan
CAS Number952652-79-8
PubChem CID58153851
IUPAC Name(2S)-2-[butanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-methylbutanoic acid
Molecular FormulaC23H27N5O3
Molecular Weight421.5
XLogP3.8
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity594
SMILES
CCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O
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
InChIKey
OKAQHVJSXLGXET-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Despentanoyl butanoyl valsartan
CAS: 952652-79-8
CID: 58153851
Formula: C23H27N5O3
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass421.21138974
Monoisotopic Mass421.21138974
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity594
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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