[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-Oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Tetradecahydro-1H-Naphtho[6,5-f]Quinolin-8-Yl] 2-[Bis(2-Chloroethyl)Amino]Benzoate
[CAS# 157757-66-9]

Identification

• Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-2-Oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Tetradecahydro-1H-Naphtho[6,5-f]Quinolin-8-Yl] 2-[Bis(2-Chloroethyl)Amino]Benzoate
• Synonyms: 2-[Bis(2-Chloroethyl)Amino]Benzoic Acid [(4As,4Br,6As,8S,10As,10Bs,12As)-10A,12A-Dimethyl-2-Oxo-3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Tetradecahydro-1H-Naphtho[6,5-F]Quinolin-8-Yl] Ester; 2-[Bis(2-Chloroethyl)Amino]Benzoic Acid [(4As,4Br,6As,8S,10As,10Bs,12As)-2-Keto-10A,12A-Dimethyl-3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Tetradecahydro-1H-Naphtho[6,5-F]Quinolin-8-Yl] Ester; 17A-Aza-D-Homoandrostan-17-One, 3-((2-(Bis(2-Chloroethyl)Amino)Benzoyl)Oxy)-, (3-Beta,5-Alpha)-
• Molecular Formula: C₃₀H₄₂Cl₂N₂O₃
• Molecular Weight: 549.58
• CAS Registry Number: 157757-66-9
• SMILES: [C@@H]23[C@H]([C@H]1[C@@](NC(=O)CC1)(CC2)C)CC[C@@H]5[C@@]3(CC[C@H](OC(=O)C4=CC=CC=C4N(CCCl)CCCl)C5)C
• InChI: 1S/C30H42Cl2N2O3/c1-29-13-11-21(37-28(36)23-5-3-4-6-26(23)34(17-15-31)18-16-32)19-20(29)7-8-22-24(29)12-14-30(2)25(22)9-10-27(35)33-30/h3-6,20-22,24-25H,7-19H2,1-2H3,(H,33,35)/t20-,21-,22+,24-,25-,29-,30-/m0/s1
• InChIKey: ZHLHJJXYMZLGKL-QPNSFPETSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 680.127°C at 760 mmHg (Cal.)
• Flash point: 365.128°C (Cal.)