Candoxatrilat
[CAS# 123898-42-0]

Identification

• Name: Candoxatrilat
• Synonyms: 4-[[1-[3-Hydroxy-2-(2-Methoxyethoxymethyl)-3-Oxo-Propyl]Cyclopentanecarbonyl]Amino]Cyclohexane-1-Carboxylic Acid; 4-[[[1-[3-Hydroxy-2-(2-Methoxyethoxymethyl)-3-Oxopropyl]Cyclopentyl]-Oxomethyl]Amino]-1-Cyclohexanecarboxylic Acid; 4-[[1-[3-Hydroxy-3-Keto-2-(2-Methoxyethoxymethyl)Propyl]Cyclopentanecarbonyl]Amino]Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₂₀H₃₃NO₇
• Molecular Weight: 399.48
• CAS Registry Number: 123898-42-0
• SMILES: C(C2(C(NC1CCC(C(O)=O)CC1)=O)CCCC2)C(COCCOC)C(O)=O
• InChI: 1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)
• InChIKey: ACZWIDANLCXHBM-UHFFFAOYSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 642.057°C at 760 mmHg (Cal.)
• Flash point: 342.104°C (Cal.)