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Substance Name: 16alpha-Bromo-11beta-methoxy-17beta-estradiol
RN: 82123-98-6
InChIKey: FERUVNCWJYIAQM-RUOITVIXSA-N

Note

  • 77Br-isomer serves a a gamma-emitting imaging agent.

Molecular Weight

  • 381.307
 
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Names and Synonyms

Name of Substance

  • 16alpha-Bromo-11beta-methoxy-17beta-estradiol

Synonyms

  • 16-Bromomethoxyestradiol
  • 16alpha-Bromo-11beta-methoxyestradiol-17beta

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol, 16-(bromo-77Br)-11-methoxy-, (11beta,16alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 82123-98-6

System Generated Number

  • 0082123986

Structure Descriptors

InChI

1S/C19H25BrO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1

InChIKey

FERUVNCWJYIAQM-RUOITVIXSA-N

Smiles

c1(ccc2[C@H]3[C@H](C[C@@]4([C@H]([C@@H](C[C@@H]4[C@@H]3CCc2c1)Br)O)C)OC)O