Oestradiol mustard

Molecular Formula: C₄₂H₅₀Cl₄N₂O₄

InChI: InChI=1/C42H50Cl4N2O4/c1-42-17-16-36-35-13-11-34(51-40(49)26-29-2-7-32(8-3-29)47(22-18-43)23-19-44)28-31(35)6-12-37(36)38(42)14-15-39(42)52-41(50)27-30-4-9-33(10-5-30)48(24-20-45)25-21-46/h2-5,7-11,13,28,36-39H,6,12,14-27H2,1H3/t36-,37-,38+,39+,42+/m1/s1

InChIKey: InChIKey=LRSFXIJGHRPOQQ-VZRQQIPSBM
SMILES: CC12CCC3C(C1CCC2OC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)CC6=CC=C(C=C6)N(CCCl)CCCl

Names:
    AI3-52864
    Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)estradiol
    Bis((p-(bis(2-chloroethyl)amino)phenyl)acetate)oestradiol
    BIS(4-(BIS(2-CHLOROETHYL)AMINO)BENZENEACETATE)E*
    CCRIS 283
    Estradiol mustard
    HSDB 7075
    NCI-C01570
    NSC 112259
    Oestradiol mustard
    [(8S,9S,13S,14S,17S)-3-[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate

Registries:
    PubChem CID 31586
    PubChem ID 173656