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Substance Name: Estramustine phosphate sodium monohydrate
RN: 1227300-83-5
UNII: 75F375MT2N
InChIKey: OAIHMBRTKDWZQG-WFVUJJAZSA-L

Note

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

Molecular Formula

  • C23-H32-Cl2-N-O6-P.2Na.H2-O

Molecular Weight

  • 582.3658
 
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Names and Synonyms

Results Name

  • Estramustine phosphate sodium monohydrate

Name of Substance

  • Estramustine phosphate sodium

Synonyms

  • Emcyt
  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(N,N-bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate), sodium salt, hydrate (1:2:1)
  • Estramustine 17-(dihydrogenphosphate) disodium salt monohydrate
  • Estramustine 17-(dihydrogenphosphate) disodium salt monohydrate [MI]
  • Estramustine phosphate sodium monohydrate
  • Estramustine phosphate sodium [ORANGE BOOK]
  • UNII-75F375MT2N

Registry Numbers

CAS Registry Number

  • 1227300-83-5

FDA UNII

  • 75F375MT2N

System Generated Number

  • 1227300835

Structure Descriptors

InChI

1S/C23H32Cl2NO6P.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t18-,19-,20+,21+,23+;;;/m1.../s1

InChIKey

OAIHMBRTKDWZQG-WFVUJJAZSA-L

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-])OC(=O)N(CCCl)CCCl.O.[Na+].[Na+]