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Substance Name: 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid
RN: 124651-01-0
InChIKey: XDFFJSAVOUJVAR-OCWLBIEKSA-N

Classification Codes

  • 5-alpha Reductase Inhibitors
  • Enzyme Inhibitors
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C24-H33-N-O3

Molecular Weight

  • 383.529
 
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Names and Synonyms

Name of Substance

  • 17-(N-t-Butylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid

Synonym

  • 17-Bcetca

Systematic Name

  • Estra-1,3,5(10)-triene-3-carboxylic acid, 17-(((1,1-dimethylethyl)amino)carbonyl)-, (17beta)-

Registry Numbers

CAS Registry Number

  • 124651-01-0

System Generated Number

  • 0124651010

Structure Descriptors

InChI

1S/C24H33NO3/c1-23(2,3)25-21(26)20-10-9-19-18-8-5-14-13-15(22(27)28)6-7-16(14)17(18)11-12-24(19,20)4/h6-7,13,17-20H,5,8-12H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-,19+,20-,24+/m1/s1

InChIKey

XDFFJSAVOUJVAR-OCWLBIEKSA-N

Smiles

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