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Substance Name: 7-(4'-Amino)phenylthioandrostenedione
RN: 67340-72-1
InChIKey: OFMCSMLOQKMMIX-RGJWXQDMSA-N

Molecular Formula

  • C25-H31-N-O2-S

Molecular Weight

  • 409.591
 
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Names and Synonyms

Name of Substance

  • 7-(4'-Amino)phenylthioandrostenedione

Synonyms

  • 7alpha-(4'-Amino)phenylthio-4-androstene-3,17-dione
  • 7alpha-(4'-Amino)phenylthioandrostenedione
  • 7alpha-Apta
  • UM 583

Systematic Name

  • Androst-4-ene-3,17-dione, 7-((4-aminophenyl)thio)-, (7alpha)-

Registry Numbers

CAS Registry Number

  • 67340-72-1

System Generated Number

  • 0067340721

Structure Descriptors

InChI

1S/C25H31NO2S/c1-24-11-9-17(27)13-15(24)14-21(29-18-5-3-16(26)4-6-18)23-19-7-8-22(28)25(19,2)12-10-20(23)24/h3-6,13,19-21,23H,7-12,14,26H2,1-2H3/t19-,20-,21+,23-,24-,25-/m0/s1

InChIKey

OFMCSMLOQKMMIX-RGJWXQDMSA-N

Smiles

C1C[C@@]2([C@@H]3[C@@H]([C@H](Sc4ccc(cc4)N)CC2=CC1=O)[C@@H]1CCC([C@@]1(CC3)C)=O)C