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Substance Name: 7-Benzyl-1,4,6-androstatriene-3,17-dione
RN: 131802-66-9
InChIKey: TZJKJQQPVWTQSG-AEFDYNLKSA-N

Note

  • Enzyme-activated irreversible inhibitor of aromatase.

Molecular Formula

  • C26-H28-O2

Molecular Weight

  • 372.505
 
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Names and Synonyms

Name of Substance

  • 7-Benzyl-1,4,6-androstatriene-3,17-dione

Synonyms

  • 7-Batdo
  • 7-Benzylandrosta-1,4,6-triene-3,17-dione

Systematic Name

  • Androsta-1,4,6-triene-3,17-dione, 7-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 131802-66-9

System Generated Number

  • 0131802669

Structure Descriptors

InChI

1S/C26H28O2/c1-25-12-10-20(27)16-19(25)15-18(14-17-6-4-3-5-7-17)24-21-8-9-23(28)26(21,2)13-11-22(24)25/h3-7,10,12,15-16,21-22,24H,8-9,11,13-14H2,1-2H3/t21-,22-,24-,25-,26-/m0/s1

InChIKey

TZJKJQQPVWTQSG-AEFDYNLKSA-N

Smiles

c1ccccc1CC1=CC2=CC(=O)C=C[C@]2(C)[C@@H]2[C@@H]1[C@H]1[C@@](CC2)(C(CC1)=O)C