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Substance Name: 2,4-Dibromo-17-ethynyl(6,7)estradiol
RN: 79769-52-1
InChIKey: TVZPJONPQWRVQV-QEIBRJLASA-N

Molecular Formula

  • C20-H22-Br2-O2

Molecular Weight

  • 454.2
 
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Names and Synonyms

Name of Substance

  • 2,4-Dibromo-17-ethynyl(6,7)estradiol

Synonyms

  • 2,4-Dibromo-17-ethynyl(6,7-3H)estradiol
  • 3H-2,4-Dbee2

Systematic Name

  • 19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 2,4-dibromo-, (17alpha)-

Registry Numbers

CAS Registry Number

  • 79769-52-1

System Generated Number

  • 0079769521

Structure Descriptors

InChI

1S/C20H22Br2O2/c1-3-20(24)9-7-15-12-4-5-13-14(10-16(21)18(23)17(13)22)11(12)6-8-19(15,20)2/h1,10-12,15,23-24H,4-9H2,2H3/t11-,12+,15-,19-,20-/m0/s1

InChIKey

TVZPJONPQWRVQV-QEIBRJLASA-N

Smiles

c1(c(c(c2CC[C@@H]3[C@@H](c2c1)CC[C@@]1([C@H]3CC[C@@]1(O)C#C)C)Br)O)Br