CHEBI:31562 - estramustine sodium phosphate

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ChEBI Name estramustine sodium phosphate ChEBI ID CHEBI:31562 Definition An organic sodium salt which is the disodium salt of estramustine phosphate. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C23H30Cl2NNa2O6P C23H30Cl2NO6P.2Na Net Charge 0 Average Mass 564.34700 Monoisotopic Mass 563.09832 InChI InChI=1S/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 InChIKey IIUMCNJTGSMNRO-VVSKJQCTSA-L SMILES [Na+].[Na+].[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP([O-])([O-])=O ChEBI Ontology Outgoing estramustine sodium phosphate (CHEBI:31562) has part estramustine phosphate(2−) (CHEBI:68644) estramustine sodium phosphate (CHEBI:31562) is a organic sodium salt (CHEBI:38700) IUPAC Name disodium (17β)-3-{[bis(2-chloroethyl)carbamoyl]oxy}estra-1(10),2,4-trien-17-yl phosphate Synonyms Sources Estradiol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), disodium salt ChemIDplus Estramustine phosphate disodium ChemIDplus Brand Names Sources Emcyt DrugBank Estracyt DrugBank Manual Xrefs Databases C13031 KEGG COMPOUND D02398 KEGG DRUG DB01196 DrugBank View more database links Registry Number Type Source 52205-73-9 CAS Registry Number ChemIDplus Citation Type Source 20724808 PubMed citation Europe PMC Last Modified 08 October 2012