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Substance Name: Ammonium, diethyl(4-hydroxybutyl)methyl-, bromide, m-anisate
RN: 29278-78-2
InChIKey: RINHLTMDCWLOBR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N-O3.Br

Molecular Weight

  • 374.316
 
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Names and Synonyms

Synonym

  • Diethyl(4-hydroxybutyl)methylammonium bromide m-anisate

Systematic Name

  • Ammonium, diethyl(4-hydroxybutyl)methyl-, bromide, m-anisate

Registry Numbers

CAS Registry Number

  • 29278-78-2

System Generated Number

  • 0029278782

Molecular Formulas

Molecular Formula

  • C17-H28-N-O3.Br

Molecular Formula Fragments

  • Br
  • C17-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28NO3.BrH/c1-5-18(3,6-2)12-7-8-13-21-17(19)15-10-9-11-16(14-15)20-4;/h9-11,14H,5-8,12-13H2,1-4H3;1H/q+1;/p-1

InChIKey

RINHLTMDCWLOBR-UHFFFAOYSA-M

Smiles

[N+](CC)(C)(CCCCOC(c1cc(ccc1)OC)=O)CC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16200ug/kg (16.2mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 90, Pg. 1048, 1970.