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Substance Name: ((4-(2-Methyl-2-butyl)-2-chlorophenoxy)ethoxyethyl)(4-chlorobenzyl)dimethylammonium chloride
RN: 66902-78-1
UNII: 38NIK6RGMZ
InChIKey: ZJOAVTJFSFMZIV-UHFFFAOYSA-M

Molecular Formula

  • C24-H34-Cl2-N-O2.Cl

Molecular Weight

  • 474.897
 
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Names and Synonyms

Name of Substance

  • ((4-(2-Methyl-2-butyl)-2-chlorophenoxy)ethoxyethyl)(4-chlorobenzyl)dimethylammonium chloride

Synonym

  • UNII-38NIK6RGMZ

Systematic Name

  • Ammonium, (p-chlorobenzyl)(2-(2-(2-chloro-4-(1,1-dimethylpropyl)phenoxy)ethoxy)ethyl)dimethyl-, chloride

Registry Numbers

CAS Registry Number

  • 66902-78-1

FDA UNII

  • 38NIK6RGMZ

System Generated Number

  • 0066902781

Molecular Formulas

Molecular Formula

  • C24-H34-Cl2-N-O2.Cl

Molecular Formula Fragments

  • C24-H34-Cl2-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C24H34Cl2NO2.ClH/c1-6-24(2,3)20-9-12-23(22(26)17-20)29-16-15-28-14-13-27(4,5)18-19-7-10-21(25)11-8-19;/h7-12,17H,6,13-16,18H2,1-5H3;1H/q+1;/p-1

InChIKey

ZJOAVTJFSFMZIV-UHFFFAOYSA-M

Smiles

[Cl-].CCC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccc(Cl)cc2)c(Cl)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37400ug/kg (37.4mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 40, Pg. 267, 1951.