[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Hexadecahydronaphtho[6,5-f]Quinolin-8-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Acetate
[CAS# 146678-51-5]

Identification

• Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-Dimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-Hexadecahydronaphtho[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)-10A,12A-Dimethyl-1,2,3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Hexadecahydronaphtho[6,5-F]Quinolin-8-Yl] Ester; [(4As,4Br,6As,8S,10As,10Bs,12As)-10A,12A-Dimethyl-1,2,3,4,4A,4B,5,6,6A,7,8,9,10,10B,11,12-Hexadecahydronaphtho[6,5-F]Quinolin-8-Yl] 2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Ethanoate; 17A-Aza-D-Homoandrostan-3-Ol, 4-(Bis(2-Chloroethyl)Amino)Benzeneacetate (Ester), (3-Beta,5-Alpha)-
• Molecular Formula: C₃₁H₄₆Cl₂N₂O₂
• Molecular Weight: 549.62
• CAS Registry Number: 146678-51-5
• 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)(NCCC5)C)C
• InChI: 1S/C31H46Cl2N2O2/c1-30-13-11-25(37-29(36)20-22-5-8-24(9-6-22)35(18-15-32)19-16-33)21-23(30)7-10-26-27(30)12-14-31(2)28(26)4-3-17-34-31/h5-6,8-9,23,25-28,34H,3-4,7,10-21H2,1-2H3/t23-,25-,26+,27-,28-,30-,31-/m0/s1
• InChIKey: CPICDLRHHBTQBZ-ABKLYSGHSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 632.722°C at 760 mmHg (Cal.)
• Flash point: 336.458°C (Cal.)