(11beta,13alpha,17alpha)-11-[4-(Dimethylamino)Phenyl]-17-Hydroxy-17-(3-Hydroxypropyl)-Estra-4,9-Dien-3-One
[CAS# 96346-61-1]

Identification

• Name: (11beta,13alpha,17alpha)-11-[4-(Dimethylamino)Phenyl]-17-Hydroxy-17-(3-Hydroxypropyl)-Estra-4,9-Dien-3-One
• Synonyms: Estra-4,9-Dien-3-One, 11-(4-(Dimethylamino)Phenyl)-17-Hydroxy-17-(3-Hydroxypropyl)-, (11-Beta,13-Alpha,17-Alpha)-; Onapristona [Spanish]; Onapristone
• Molecular Formula: C₂₉H₃₉NO₃
• Molecular Weight: 449.63
• CAS Registry Number: 96346-61-1
• SMILES: [C@H]4(C2=C1C(=CC(=O)CC1)CCC2C3C(C(O)(CC3)CCCO)(C4)C)C5=CC=C(N(C)C)C=C5
• InChI: 1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24?,25-,26?,28?,29?/m1/s1
• InChIKey: IEXUMDBQLIVNHZ-JYYWMEGPSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 654.84°C at 760 mmHg (Cal.)
• Flash point: 349.835°C (Cal.)