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Substance Name: 17-Bromoethinylestradiol
RN: 85179-66-4
InChIKey: WWRWYXVMNLDXOE-SWBPCFCJSA-N

Note

  • Estrogen receptor radiotracer.

Molecular Weight

  • 359.305
 
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Names and Synonyms

Name of Substance

  • 17-Bromoethinylestradiol

Synonym

  • 17alpha-Bromoethynylestradiol

Systematic Name

  • 19-Norpregna-1,3,5(10)-trien-20-yn-3-ol, 17-bromo-

Registry Numbers

CAS Registry Number

  • 85179-66-4

System Generated Number

  • 0085179664

Structure Descriptors

InChI

1S/C20H23BrO/c1-3-20(21)11-9-18-17-6-4-13-12-14(22)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20-/m1/s1

InChIKey

WWRWYXVMNLDXOE-SWBPCFCJSA-N

Smiles

c1c(cc2CC[C@H]3[C@H]4[C@@](CC[C@H]3c2c1)([C@@](CC4)(Br)C#C)C)O