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Substance Name: Androst-4-ene-3,17-alpha-diol, 17-(2-(butylamino)-4-thiazolyl)-
RN: 96113-08-5
InChIKey: FVXUQCYMOHEQAI-OBDJZADISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H40-N2-O2-S.2H2-O

Molecular Weight

  • 480.71
 
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Names and Synonyms

Synonym

  • 17-beta-(2-(Butylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol dihydrate

Systematic Name

  • Androst-4-ene-3,17-alpha-diol, 17-(2-(butylamino)-4-thiazolyl)-

Registry Numbers

CAS Registry Number

  • 96113-08-5

Other Registry Number

  • 101915-06-4

System Generated Number

  • 0096113085

Molecular Formulas

Molecular Formula

  • C26-H40-N2-O2-S.2H2-O

Molecular Formula Fragments

  • C26-H40-N2-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H40N2O2S.2H2O/c1-4-5-14-27-23-28-22(16-31-23)26(30)13-10-21-19-7-6-17-15-18(29)8-11-24(17,2)20(19)9-12-25(21,26)3;;/h15-16,18-21,29-30H,4-14H2,1-3H3,(H,27,28);2*1H2/t18-,19-,20+,21+,24+,25+,26+;;/m1../s1

InChIKey

FVXUQCYMOHEQAI-OBDJZADISA-N

Smiles

C1[C@@]2([C@H]([C@H]3[C@H]([C@@]4(C(=C[C@H](O)CC4)CC3)C)C1)CC[C@@]2(c1nc(NCCCC)sc1)O)C.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo parenteral 30mg/kg (30mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 613, 1963.
pigeon LDLo parenteral 3600ug/kg (3.6mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 613, 1963.