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Substance Name: Estramustine phosphate
RN: 4891-15-0
UNII: MUZ9585Y7B
InChIKey: ADFOJJHRTBFFOF-RBRWEJTLSA-N

Note

  • 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

Molecular Weight

  • 520.3868
 

Classification Codes

  • Antineoplastic Agents, Hormonal
  • Hormone
  • Mutation Data
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Names and Synonyms

Name of Substance

  • Estramustine phosphate

Synonyms

  • BRN 1898199
  • EINECS 225-512-3
  • Emcyt (free acid)
  • Estracyt
  • Estramustine phosphate
  • Leo 299
  • LS 299
  • NSC 89199
  • UNII-MUZ9585Y7B

Systematic Names

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate) (9CI)
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-(bis(2-chloroethyl)carbamate) 17-(dihydrogen phosphate)
  • Estradiol, 3-(bis(2-chloroethyl)carbamate) dihydrogen phosphate

Registry Numbers

CAS Registry Number

  • 4891-15-0

FDA UNII

  • MUZ9585Y7B

System Generated Number

  • 0004891150

Structure Descriptors

InChI

1S/C23H32Cl2NO6P/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)/t18-,19-,20+,21+,23+/m1/s1

InChIKey

ADFOJJHRTBFFOF-RBRWEJTLSA-N

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