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Substance Name: Acetonitrile, (((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)methylamino)-, monohydrochloride
RN: 126054-50-0
InChIKey: GOQRUJWYFNLWRO-GDKKJDFHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H36-N2-O.Cl-H

Molecular Weight

  • 381.0003
 
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Names and Synonyms

Synonym

  • 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride

Systematic Name

  • Acetonitrile, (((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)methylamino)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 126054-50-0

System Generated Number

  • 0126054500

Molecular Formulas

Molecular Formula

  • C22-H36-N2-O.Cl-H

Molecular Formula Fragments

  • C22-H36-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H36N2O.ClH/c1-21-10-8-16(25)14-15(21)4-5-17-18-6-7-20(24(3)13-12-23)22(18,2)11-9-19(17)21;/h15-20,25H,4-11,13-14H2,1-3H3;1H/t15-,16-,17?,18?,19?,20-,21-,22-;/m0./s1

InChIKey

GOQRUJWYFNLWRO-GDKKJDFHSA-N

Smiles

C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 950, 1989.