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Substance Name: Ammonium, diethyl(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)methyl-, bromide
RN: 2110-31-8
InChIKey: YTMCJJJPDORKBE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N2-O.Br

Molecular Weight

  • 389.335
 
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Names and Synonyms

Synonym

  • Diethyl(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)methylammonium bromide

Systematic Name

  • Ammonium, diethyl(4-hydroxy-4-phenyl-4-(2-pyridyl)-2-butynyl)methyl-, bromide

Registry Numbers

CAS Registry Number

  • 2110-31-8

System Generated Number

  • 0002110318

Molecular Formulas

Molecular Formula

  • C20-H25-N2-O.Br

Molecular Formula Fragments

  • Br
  • C20-H25-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25N2O.BrH/c1-4-22(3,5-2)17-11-15-20(23,18-12-7-6-8-13-18)19-14-9-10-16-21-19;/h6-10,12-14,16,23H,4-5,17H2,1-3H3;1H/q+1;/p-1

InChIKey

YTMCJJJPDORKBE-UHFFFAOYSA-M

Smiles

c1([C@@](c2ccccn2)(C#CC[N+](CC)(CC)C)O)ccccc1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Acta Pharmaceutica Suecica. Vol. 1, Pg. 237, 1964.