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Substance Name: Ethanaminium, 2-(((3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl)oxy)-N,N,N-trimethyl-2-oxo-, chloride
RN: 126054-44-2
InChIKey: PWDNSFYKBRGRQH-YYOVPXGGSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H46-N3-O2.Cl

Molecular Weight

  • 480.1324
 
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Names and Synonyms

Synonym

  • 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl

Systematic Name

  • Ethanaminium, 2-(((3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl)oxy)-N,N,N-trimethyl-2-oxo-, chloride

Registry Numbers

CAS Registry Number

  • 126054-44-2

System Generated Number

  • 0126054442

Molecular Formulas

Molecular Formula

  • C27-H46-N3-O2.Cl

Molecular Formula Fragments

  • C27-H46-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H46N3O2.ClH/c1-26-13-11-20(32-25(31)18-30(4,5)6)17-19(26)7-8-21-22-9-10-24(29(3)16-15-28)27(22,2)14-12-23(21)26;/h19-24H,7-14,16-18H2,1-6H3;1H/q+1;/p-1/t19-,20-,21?,22?,23?,24-,26-,27-;/m0./s1

InChIKey

PWDNSFYKBRGRQH-YYOVPXGGSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 950, 1989.