(8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-Bis(Diethylamino)Pyridin-2-Yl]Piperazin-1-Yl]Acetyl]-10,13,16-Trimethyl-6,7,8,12,14,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-One
[CAS# 111640-85-8]

Identification

• Name: (8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-Bis(Diethylamino)Pyridin-2-Yl]Piperazin-1-Yl]Acetyl]-10,13,16-Trimethyl-6,7,8,12,14,15,16,17-Octahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-Bis(Diethylamino)-2-Pyridyl]Piperazin-1-Yl]Acetyl]-10,13,16-Trimethyl-6,7,8,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-Bis(Diethylamino)-2-Pyridyl]-1-Piperazinyl]-1-Oxoethyl]-10,13,16-Trimethyl-6,7,8,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,10S,13S,14S,16R,17S)-17-[2-[4-[3,6-Bis(Diethylamino)Pyridin-2-Yl]Piperazin-1-Yl]Ethanoyl]-10,13,16-Trimethyl-6,7,8,12,14,15,16,17-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₃₉H₅₇N₅O₂
• Molecular Weight: 627.91
• CAS Registry Number: 111640-85-8
• SMILES: [C@@H]23CCC1=CC(C=C[C@@]1(C2=CC[C@]4([C@H]3C[C@H]([C@@H]4C(CN5CCN(CC5)C6=NC(=CC=C6N(CC)CC)N(CC)CC)=O)C)C)C)=O
• InChI: 1S/C39H57N5O2/c1-8-42(9-2)33-14-15-35(43(10-3)11-4)40-37(33)44-22-20-41(21-23-44)26-34(46)36-27(5)24-32-30-13-12-28-25-29(45)16-18-38(28,6)31(30)17-19-39(32,36)7/h14-18,25,27,30,32,36H,8-13,19-24,26H2,1-7H3/t27-,30-,32+,36-,38+,39+/m1/s1
• InChIKey: AURBBRTXTSQWSZ-NLJYJMBESA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 766.915°C at 760 mmHg (Cal.)
• Flash point: 417.615°C (Cal.)