[(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Acetyl]Oxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl] Benzoate
[CAS# 75219-46-4]

Identification

• Name: [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Acetyl]Oxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl] Benzoate
• Synonyms: Benzoic Acid [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxobutoxy]-1-Oxoethoxy]-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Benzoic Acid [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Acetyl]Oxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethanoyloxy]-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate
• Molecular Formula: C₄₁H₄₇Cl₂NO₆
• Molecular Weight: 720.73
• CAS Registry Number: 75219-46-4
• SMILES: [C@@H]6(OC(=O)COC(=O)CCCC1=CC=C(N(CCCl)CCCl)C=C1)C5(C(C2C(C4=C(CC2)C=C(OC(=O)C3=CC=CC=C3)C=C4)CC5)CC6)C
• InChI: 1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34?,35?,36?,37-,41?/m0/s1
• InChIKey: IFJUINDAXYAPTO-YEMMQMLISA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 804.261°C at 760 mmHg (Cal.)
• Flash point: 440.201°C (Cal.)