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Substance Name: 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione
RN: 96937-87-0
InChIKey: LCFDGVXDFUKBGU-YHBVRMNNSA-N

Molecular Formula

  • C27-H32-Br-N-O3-S

Molecular Weight

  • 530.524
 
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Names and Synonyms

Name of Substance

  • 7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione

Synonym

  • 7-Bpta

Systematic Name

  • Acetamide, 2-bromo-N-(4-(((7alpha)-3,17-dioxoandrost-4-en-7-yl)thio)phenyl)-

Registry Numbers

CAS Registry Number

  • 96937-87-0

System Generated Number

  • 0096937870

Structure Descriptors

InChI

1S/C27H32BrNO3S/c1-26-11-9-18(30)13-16(26)14-22(33-19-5-3-17(4-6-19)29-24(32)15-28)25-20-7-8-23(31)27(20,2)12-10-21(25)26/h3-6,13,20-22,25H,7-12,14-15H2,1-2H3,(H,29,32)/t20?,21-,22+,25-,26-,27-/m0/s1

InChIKey

LCFDGVXDFUKBGU-YHBVRMNNSA-N

Smiles

C1C(=O)C=C2C[C@H]([C@@H]3[C@@H]([C@@]2(C)C1)CC[C@@]1(C(CC[C@@H]31)=O)C)Sc1ccc(cc1)NC(=O)CBr