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Repaglinide 50mg

CAT: 0628-A10783-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A10783-50Size:50 mg
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CAS Number
135062-02-1

Chemical Information

Repaglinide

Repaglinide is a member of piperidines.

CAS Number135062-02-1
PubChem CID65981
IUPAC Name2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid
Molecular FormulaC27H36N2O4
Molecular Weight452.6
XLogP5.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity619
SMILES
CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
InChI
InChI=1S/C27H36N2O4/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/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
InChIKey
FAEKWTJYAYMJKF-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Repaglinide
CAS: 135062-02-1
CID: 65981
Formula: C27H36N2O4
MW: 452.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass452.26750763
Monoisotopic Mass452.26750763
Topological Polar Surface Area78.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity619
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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Alternative Products

CatalogName
TRC-R144490-25MG(R)-(-)-Repaglinide (Repaglinide Impurity)
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