ESTRAMUSTINE PHOSPHATE

PubChem Notes:

Estramustine A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.

Molecular Formula: C23H32Cl2NO6P


InChI: InChI=1/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/f/h28-29H

InChIKey: InChIKey=ADFOJJHRTBFFOF-LKHHGCNMCQ
SMILES: CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl

Names:
    BRN 1898199
    EINECS 225-512-3
    Emcyt (free acid)
    Estracyt
    Estradiol, 3-(bis(2-chloroethyl)carbamate) dihydrogen phosphate
    ESTRAMUSTINE PHOSPHATE
    Leo 299
    LS 299
    NSC 89199
    4891-15-0
    [3-[bis(2-chloroethyl)carbamoyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxyphosphonic acid

Registries:
    PubChem CID 3268
    PubChem ID 163789