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Substance Name: Acetonitrile, ((2-(((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)methylamino)ethyl)amino)-, dihydrochloride
RN: 126054-51-1
InChIKey: IIVWEXOZQYAHFS-PORQBXOBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H41-N3-O2.2Cl-H

Molecular Weight

  • 460.5297
 
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Names and Synonyms

Synonym

  • 3-beta-Hydroxy-17-beta-(N-methyl-N-(2-cyanomethylaminoethyl)amino)-5-alpha-androstane HCl

Systematic Name

  • Acetonitrile, ((2-(((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)methylamino)ethyl)amino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 126054-51-1

System Generated Number

  • 0126054511

Molecular Formulas

Molecular Formula

  • C24-H41-N3-O2.2Cl-H

Molecular Formula Fragments

  • C24-H41-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H41N3O.2ClH/c1-23-10-8-18(28)16-17(23)4-5-19-20-6-7-22(24(20,2)11-9-21(19)23)27(3)15-14-26-13-12-25;;/h17-22,26,28H,4-11,13-16H2,1-3H3;2*1H/t17-,18-,19?,20?,21?,22-,23-,24-;;/m0../s1

InChIKey

IIVWEXOZQYAHFS-PORQBXOBSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 80mg/kg (80mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 950, 1989.