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Chemical structure of 3'-Hydroxy Repaglinide

GC39611

3'-Hydroxy Repaglinide

Also known as 2-ethoxy-4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid

3'-Hydroxy Repaglinide is a main CYP2C8 metabolite of Repaglinide

ChemicalCAS874908-14-2MW468.59FormulaC27H36N2O5
CAS number
874908-14-2
Molecular weight
468.59
Formula
C27H36N2O5
Solubility
Soluble in DMSO
InChIKey
OBMAZJVHPAVADF-UHFFFAOYSA-N
Catalogue number
GC39611
Brand
GLPBIO
Computed properties PubChem CID 46781896 · XLogP 4.2 · TPSA 99.1 Ų · H-bond donors 3
XLogP
4.2
TPSA
99.1 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
34

SMILES CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCC(C3)O)C(=O)O

Computed descriptors from PubChem (CID 46781896), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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