Estramustine phosphate sodium

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

Molecular Formula: C₂₃H₃₀Cl₂NNa₂O₆P

InChI: InChI=1/C23H32Cl2NO6P.2Na/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);;/q;2*+1/p-2/t18u,19u,20u,21-,23u;;/m0../s1/fC23H30Cl2NO6P.2Na/q-2;2m

InChIKey: InChIKey=IIUMCNJTGSMNRO-DFHPJYDHDA
SMILES: CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+]

Names:
    disodium [(17S)-13-methyl-17-phosphonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate
    EINECS 257-735-7
    Emcyt
    Estracyt
    Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), disodium salt
    Estramustine phosphate disodium
    Estramustine phosphate sodium [USAN:BAN:JAN]
    Estramustine phosphate sodium
    Estramustine 17-(dihydrogen phosphate) disodium salt
    Ro 21-8837/001
    52205-73-9

Registries:
    PubChem CID 40291
    PubChem ID 181188