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Estramustine A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.
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pre_formula( "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/t18-,19-,20+,21+,23+;;/m1../s1/fC23H30Cl2NO6P.2Na/q-2;2m", "jqp012/444000.html" ); ?>
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/t18-,19-,20+,21+,23+;;/m1../s1/fC23H30Cl2NO6P.2Na/q-2;2m
InChIKey: InChIKey=IIUMCNJTGSMNRO-QEXGXADRDL
SMILES: CC12CCC3C(C1CCC2OP(=O)([O-])[O-])CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na+].[Na+]
Names:
C13031
disodium [(8S,9S,13S,14S,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
Estramustine phosphate sodium
52205-73-9
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Registries:
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PubChem CID 444000
PubChem ID 583420
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