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Repaglinide USP Related Compound C

CAT: 1299-RM-R160713-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R160713-01Size:10 mg
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CAS Number
1803084-79-8
Synonyms
(S) -2-ethoxy-4- (2-oxo-2- ((2-phenyl-1- (2- (piperidin-1-yl) phenyl) ethyl) amino) ethyl) benzoic acid
Molecular Formula
C30H34N2O4
Molecular Weight
486.61
Target Alternative Name
Repaglinide
Product Name Synonym
(S) -2-ethoxy-4- (2-oxo-2- ((2-phenyl-1- (2- (piperidin-1-yl) phenyl) ethyl) amino) ethyl) benzoic acid

Chemical Information

2-Desisopropyl-2-phenyl repaglinide
CAS Number1803084-79-8
PubChem CID72941640
IUPAC Name2-ethoxy-4-[2-oxo-2-[[(1S)-2-phenyl-1-(2-piperidin-1-ylphenyl)ethyl]amino]ethyl]benzoic acid
Molecular FormulaC30H34N2O4
Molecular Weight486.6
XLogP5.5
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity688
SMILES
CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4)C(=O)O
InChI
InChI=1S/C30H34N2O4/c1-2-36-28-20-23(15-16-25(28)30(34)35)21-29(33)31-26(19-22-11-5-3-6-12-22)24-13-7-8-14-27(24)32-17-9-4-10-18-32/h3,5-8,11-16,20,26H,2,4,9-10,17-19,21H2,1H3,(H,31,33)(H,34,35)/t26-/m0/s1
InChIKey
MHMMEOVDUOZDJA-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of 2-Desisopropyl-2-phenyl repaglinide
CAS: 1803084-79-8
CID: 72941640
Formula: C30H34N2O4
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass486.25185757
Monoisotopic Mass486.25185757
Topological Polar Surface Area78.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity688
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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