[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-Trimethyl-2-Oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Tetradecahydronaphtho[6,5-f]Quinolin-8-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetate
[CAS# 146678-52-6]

Identification

• Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,10a,12a-Trimethyl-2-Oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Tetradecahydronaphtho[6,5-f]Quinolin-8-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetate
• Synonyms: 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(4As,4Br,6As,8S,10As,10Bs,12As)-1,10A,12A-Trimethyl-2-Oxo-3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Tetradecahydronaphtho[6,5-F]Quinolin-8-Yl] Ester; 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetic Acid [(4As,4Br,6As,8S,10As,10Bs,12As)-2-Keto-1,10A,12A-Trimethyl-3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Tetradecahydronaphtho[6,5-F]Quinolin-8-Yl] Ester; [(4As,4Br,6As,8S,10As,10Bs,12As)-1,10A,12A-Trimethyl-2-Oxo-3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Tetradecahydronaphtho[6,5-F]Quinolin-8-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoate
• Molecular Formula: C₃₂H₄₆Cl₂N₂O₃
• Molecular Weight: 577.63
• CAS Registry Number: 146678-52-6
• SMILES: [C@@H]2(OC(CC1=CC=C(C=C1)N(CCCl)CCCl)=O)C[C@H]3[C@](CC2)([C@@H]4[C@@H](CC3)[C@H]5[C@](CC4)(N(C(=O)CC5)C)C)C
• InChI: 1S/C32H46Cl2N2O3/c1-31-14-12-25(39-30(38)20-22-4-7-24(8-5-22)36(18-16-33)19-17-34)21-23(31)6-9-26-27(31)13-15-32(2)28(26)10-11-29(37)35(32)3/h4-5,7-8,23,25-28H,6,9-21H2,1-3H3/t23-,25-,26+,27-,28-,31-,32-/m0/s1
• InChIKey: XPEARHKOPATKGH-YGZCPXDISA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 677.773°C at 760 mmHg (Cal.)
• Flash point: 363.704°C (Cal.)