Abiraterone Acetate 5,6-Epoxide
[CAS# 1868064-50-9]

Identification

• Name: Abiraterone Acetate 5,6-Epoxide
• Synonyms: [(1S,2R,5S,7R,9S,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-14-en-5-yl] acetate
• Molecular Formula: C₂₆H₃₃NO₃
• Molecular Weight: 407.55
• CAS Registry Number: 1868064-50-9
• SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@H]5[C@]2(C1)O5)CC=C4C6=CN=CC=C6)C)C

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.594, Calc.^*
• Boiling Point: 523.3±50.0 ºC (760 mmHg), Calc.^*
• Flash Point: 270.3±30.1 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302+H312+H332-H315-H319
• Precautionary Statements: P261-P271-P280-P302+P352-P305+P351+P338