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Substance Name: Cloxestradiol [INN]
RN: 54063-33-1
UNII: 42R9MZG1DL
InChIKey: JVLHMVXGPLKLFV-AJUWMHLFSA-N

Molecular Formula

  • C20-H25-Cl3-O3

Molecular Weight

  • 419.773
 
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Names and Synonyms

Name of Substance

  • Cloxestradiol [INN]

Synonyms

  • 17beta-(2,2,2-Trichloro-1-hydroxyethoxy)estra-1,3,5(10)-trien-3-ol
  • 2,2,2-Trichlor-1-(3-hydroxy-1,3,5(10)-estratrien-17beta-yloxy)ethanol
  • Cloxestradiol
  • Cloxestradiolum
  • UNII-42R9MZG1DL

Systematic Name

  • 17 beta-(2,2,2-Trichloro-1-hydroxyethoxy)estra-1,3,5(10)-trien-3-ol.

Registry Numbers

CAS Registry Number

  • 54063-33-1

FDA UNII

  • 42R9MZG1DL

System Generated Number

  • 0054063331

Structure Descriptors

InChI

1S/C20H25Cl3O3/c1-19-9-8-14-13-5-3-12(24)10-11(13)2-4-15(14)16(19)6-7-17(19)26-18(25)20(21,22)23/h3,5,10,14-18,24-25H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18?,19+/m1/s1

InChIKey

JVLHMVXGPLKLFV-AJUWMHLFSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CCc2c1)O[C@@H](C(Cl)(Cl)Cl)O)C)O