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Repaglinide Impurity 28

CAT: 1299-RM-R160754-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R160754-01Size:10 mg
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CAS Number
2519482-22-3
Synonyms
(Z) -2-ethoxy-4- (2- ((3-methyl-1- (2- (piperidin-1-yl) phenyl) but-1-en-1-yl) amino) -2-oxoethyl) benzoic acid
Molecular Formula
C27H34N2O4
Molecular Weight
450.58
Target Alternative Name
Repaglinide
Product Name Synonym
(Z) -2-ethoxy-4- (2- ((3-methyl-1- (2- (piperidin-1-yl) phenyl) but-1-en-1-yl) amino) -2-oxoethyl) benzoic acid

Chemical Information

Repaglinide Impurity 38
CAS Number2519482-22-3
PubChem CID70222636
IUPAC Name2-ethoxy-4-[2-[[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]amino]-2-oxoethyl]benzoic acid
Molecular FormulaC27H34N2O4
Molecular Weight450.6
XLogP5.1
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity671
SMILES
CCOC1=C(C=CC(=C1)CC(=O)N/C(=C/C(C)C)/C2=CC=CC=C2N3CCCCC3)C(=O)O
InChI
InChI=1S/C27H34N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,16-17,19H,4-5,8-9,14-15,18H2,1-3H3,(H,28,30)(H,31,32)/b23-16+
InChIKey
WSRMDYYNBOOPCD-XQNSMLJCSA-N
Chemical Structure
2D Structure
2D structure of Repaglinide Impurity 38
CAS: 2519482-22-3
CID: 70222636
Formula: C27H34N2O4
MW: 450.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass450.25185757
Monoisotopic Mass450.25185757
Topological Polar Surface Area78.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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