(3aR,7S,10S,12R,21E,24aR)-7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxylic acid
[CAS# 2001608-72-4]

Identification

• Name: (3aR,7S,10S,12R,21E,24aR)-7-(1,1-dimethylethyl)-20,20-difluoro-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-5,8-dioxo-10H-9,12-Methano-1H-cyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxylic acid
• Synonyms: ABT-493/G intermediate
• Molecular Formula: C₂₉H₃₄F₂N₄O₇
• Molecular Weight: 588.60
• CAS Registry Number: 2001608-72-4

Properties

• Solubility: Sparingly Soluble (4.7E^-3 g/L) (25 °C), Calc.^*
• Density: 1.39±0.1 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 811.3±65.0 °C (760 Torr), Calc.^*
• Flash point: 444.5±34.3 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2021 ACD/Labs).