Testiphenon
[CAS# 104730-58-7]

Identification

• Name: Testiphenon
• Synonyms: 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(5S,8R,9S,10S,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoate
• Molecular Formula: C₃₁H₄₃Cl₂NO₃
• Molecular Weight: 548.59
• CAS Registry Number: 104730-58-7
• SMILES: [C@H]13[C@@H]([C@@]2([C@@H](CC1)CC(=O)CC2)C)CC[C@]4([C@H]3CC[C@@H]4OC(=O)CC5=CC=C(N(CCCl)CCCl)C=C5)C
• InChI: 1S/C31H43Cl2NO3/c1-30-13-11-24(35)20-22(30)5-8-25-26-9-10-28(31(26,2)14-12-27(25)30)37-29(36)19-21-3-6-23(7-4-21)34(17-15-32)18-16-33/h3-4,6-7,22,25-28H,5,8-20H2,1-2H3/t22-,25-,26-,27-,28-,30-,31-/m0/s1
• InChIKey: JWLXQUMDRGJLMS-SJQIPMMSSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 640.848°C at 760 mmHg (Cal.)
• Flash point: 341.373°C (Cal.)