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Substance Name: Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(methylamino)-4-thiazolyl)-, monohydrate
RN: 95671-15-1
InChIKey: KNAYCVWNRFOTMP-SEWWNTSASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H34-N2-O2-S.H2-O

Molecular Weight

  • 420.614
 
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Names and Synonyms

Synonym

  • 17-beta-(2-(Methylamino)-4-thiazolyl)androst-4-ene-3-beta,17-alpha-diol monohydrate

Systematic Name

  • Androst-4-ene-3-beta,17-alpha-diol, 17-beta-(2-(methylamino)-4-thiazolyl)-, monohydrate

Registry Numbers

CAS Registry Number

  • 95671-15-1

System Generated Number

  • 0095671151

Molecular Formulas

Molecular Formula

  • C23-H34-N2-O2-S.H2-O

Molecular Formula Fragments

  • C23-H34-N2-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H34N2O2S.H2O/c1-21-9-6-15(26)12-14(21)4-5-16-17(21)7-10-22(2)18(16)8-11-23(22,27)19-13-28-20(24-3)25-19;/h12-13,15-18,26-27H,4-11H2,1-3H3,(H,24,25);1H2/t15-,16+,17-,18-,21-,22-,23-;/m0./s1

InChIKey

KNAYCVWNRFOTMP-SEWWNTSASA-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(NC)sc1)O)C.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 2800ug/kg (2.8mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 613, 1963.