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Repaglinide Impurity 9

CAT: 1299-RM-R160735-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R160735-01Size:10 mg
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CAS Number
147770-08-9
Synonyms
(R) -ethyl 2-ethoxy-4- (2- ((3-methyl-1- (2- (piperidin-1-yl) phenyl) butyl) amino) -2-oxoethyl) benzoate
Molecular Formula
C29H40N2O4
Molecular Weight
480.64
Target Alternative Name
Repaglinide
Product Name Synonym
(R) -ethyl 2-ethoxy-4- (2- ((3-methyl-1- (2- (piperidin-1-yl) phenyl) butyl) amino) -2-oxoethyl) benzoate

Chemical Information

(R)-Repaglinide Ethyl Ester
CAS Number147770-08-9
PubChem CID10838448
IUPAC Nameethyl 2-ethoxy-4-[2-[[(1R)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate
Molecular FormulaC29H40N2O4
Molecular Weight480.6
XLogP5.9
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity649
SMILES
CCOC1=C(C=CC(=C1)CC(=O)N[C@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC
InChI
InChI=1S/C29H40N2O4/c1-5-34-27-19-22(14-15-24(27)29(33)35-6-2)20-28(32)30-25(18-21(3)4)23-12-8-9-13-26(23)31-16-10-7-11-17-31/h8-9,12-15,19,21,25H,5-7,10-11,16-18,20H2,1-4H3,(H,30,32)/t25-/m1/s1
InChIKey
FTCMVLQJMIXDSI-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of (R)-Repaglinide Ethyl Ester
CAS: 147770-08-9
CID: 10838448
Formula: C29H40N2O4
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass480.29880776
Monoisotopic Mass480.29880776
Topological Polar Surface Area67.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity649
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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