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Substance Name: Ammonium, dimethylphenethyl((2,6-xylylcarbamoyl)methyl)-, bromide
RN: 3039-08-5
InChIKey: BYNXWKFDUPRTKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N2-O.Br

Molecular Weight

  • 391.35
 
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Names and Synonyms

Synonyms

  • Benzeneethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-dimethyl-, bromide
  • Dimethylphenethyl((2,6-xylylcarbamoyl)methyl)ammonium bromide

Systematic Name

  • Ammonium, dimethylphenethyl((2,6-xylylcarbamoyl)methyl)-, bromide

Registry Numbers

CAS Registry Number

  • 3039-08-5

System Generated Number

  • 0003039085

Molecular Formulas

Molecular Formula

  • C20-H27-N2-O.Br

Molecular Formula Fragments

  • Br
  • C20-H27-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N2O.BrH/c1-16-9-8-10-17(2)20(16)21-19(23)15-22(3,4)14-13-18-11-6-5-7-12-18;/h5-12H,13-15H2,1-4H3;1H

InChIKey

BYNXWKFDUPRTKV-UHFFFAOYSA-N

Smiles

c1(c(cccc1C)C)NC(C[N+](CCc1ccccc1)(C)C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   Acta Pharmaceutica Suecica. Vol. 2, Pg. 383, 1965.