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Substance Name: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(p-toluidino)-4-thiazolyl)-, ethanolate
RN: 96969-35-6
InChIKey: BSBBHTDOFYXMAP-BCGGSMDTSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H38-N2-O2-S.C2-H6-O

Molecular Weight

  • 524.766
 
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Names and Synonyms

Synonym

  • 17-beta-(2-(p-Toluidino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol ethanolate

Systematic Name

  • Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(p-toluidino)-4-thiazolyl)-, ethanolate

Registry Numbers

CAS Registry Number

  • 96969-35-6

System Generated Number

  • 0096969356

Molecular Formulas

Molecular Formula

  • C29-H38-N2-O2-S.C2-H6-O

Molecular Formula Fragments

  • C2-H6-O
  • C29-H38-N2-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C29H38N2O2S.C2H5O/c1-18-4-7-20(8-5-18)30-26-31-25(17-34-26)29(33)15-12-24-22-9-6-19-16-21(32)10-13-27(19,2)23(22)11-14-28(24,29)3;1-2-3/h4-5,7-8,16-17,21-24,32-33H,6,9-15H2,1-3H3,(H,30,31);2H2,1H3/q;-1/p+1/t21-,22+,23-,24-,27-,28-,29-;/m0./s1

InChIKey

BSBBHTDOFYXMAP-BCGGSMDTSA-O

Smiles

C1[C@@]2(C)[C@H]([C@H]3[C@H]([C@@]4(C(=C[C@@H](O)CC4)CC3)C)C1)CC[C@@]2(c1[n+]c(Nc2ccc(C)cc2)sc1)O.C(C)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 60mg/kg (60mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 613, 1963.