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Repaglinide Impurity 12

CAT: 1596-AR-R10673-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R10673-01Size:10 Units
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CAS Number
637301-29-2
Molecular Formula
C22H28N2O4
Molecular Weight
384.48
API Name
Repaglinide

Chemical Information

2-Despiperidyl-2-amino repaglinide
CAS Number637301-29-2
PubChem CID29977666
IUPAC Name4-[2-[[(1S)-1-(2-aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid
Molecular FormulaC22H28N2O4
Molecular Weight384.5
XLogP4.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity511
SMILES
CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N)C(=O)O
InChI
InChI=1S/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1
InChIKey
OSCVKZCOJUTUFD-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of 2-Despiperidyl-2-amino repaglinide
CAS: 637301-29-2
CID: 29977666
Formula: C22H28N2O4
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass384.20490738
Monoisotopic Mass384.20490738
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity511
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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