2-Ethoxy-4-[2-({1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-methylbutyl}amino)-2-oxoethyl]benzoic acid
[CAS# 874908-14-2]

Identification

• Name: 2-Ethoxy-4-[2-({1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-methylbutyl}amino)-2-oxoethyl]benzoic acid
• Synonyms: 3'-Hydroxy Repaglinide(Mixture of Diastereomers)
• Molecular Formula: C₂₇H₃₆N₂O₅
• Molecular Weight: 468.59
• CAS Registry Number: 874908-14-2
• SMILES: CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)O
• InChI: 1S/C27H36N2O5/c1-4-34-25-15-19(11-12-22(25)27(32)33)16-26(31)28-23(14-18(2)3)21-9-5-6-10-24(21)29-13-7-8-20(30)17-29/h5-6,9-12,15,18,20,23,30H,4,7-8,13-14,16-17H2,1-3H3,(H,28,31)(H,32,33)
• InChIKey: OBMAZJVHPAVADF-UHFFFAOYSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 709.644°C at 760 mmHg (Cal.)
• Flash point: 382.979°C (Cal.)
• Refractive index: 1.581 (Cal.)