Estramustine sodium phosphate anhydrousProduct ingredient for Estramustine
- Name
- Estramustine sodium phosphate anhydrous
- Drug Entry
- Estramustine
A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.
- Accession Number
- DBSALT003535
- Structure
Structure for Estramustine sodium phosphate anhydrous (DBSALT003535)
- Synonyms
- ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(BIS(2-CHLOROETHYL)CARBAMATE) 17-(DIHYDROGEN PHOSPHATE), DISODIUM SALT / ESTRADIOL 3-(BIS(2-CHLOROETHYL)CARBAMATE) 17-(DIHYDROGEN PHOSPHATE), DISODIUM SALT / ESTRAMUSTINE 17-(DIHYDROGENPHOSPHATE) DISODIUM SALT ANHYDROUS
- External IDs
- RO 21-8837/001 / RO-21-8837/001
- UNII
- Not Available
- CAS Number
- 52205-73-9
- Weight
- Average: 564.35
Monoisotopic: 563.0983186 - Chemical Formula
- C23H30Cl2NNa2O6P
- InChI Key
- IIUMCNJTGSMNRO-VVSKJQCTSA-L
- 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
- IUPAC Name
- SMILES
- [Na+].[Na+].[H][C@@]12CC[C@H](OP([O-])([O-])=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC(=O)N(CCCl)CCCl)C=C3
- External Links
- KEGG Compound
- C13031
- ChEBI
- 31562
- ChEMBL
- CHEMBL1200721
- Predicted Properties
Property Value Source