Elagolix Diester Impurity
[CAS# 2316733-81-8]

Identification

• Name: Elagolix Diester Impurity
• Synonyms: (R)-diethyl 4,4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)azanediyl)dibutanoate
• Molecular Formula: C₄₀H₄₄F₅N₃O₇
• Molecular Weight: 773.79
• CAS Registry Number: 2316733-81-8
• SMILES: CCOC(=O)CCCN(CCCC(=O)OCC)[C@@H](CN1C(=O)C(=C(N(C1=O)CC2=C(C=CC=C2F)C(F)(F)F)C)C3=C(C(=CC=C3)OC)F)C4=CC=CC=C4

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.542, Calc.^*
• Boiling Point: 765.3±70.0 ºC (760 mmHg), Calc.^*
• Flash Point: 416.7±35.7 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.