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Substance Name: Ammonium, dimethylphenacyl((2,6-xylylcarbamoyl)methyl)-, bromide
RN: 3131-79-1
InChIKey: UFVNECMOFVYMOS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N2-O2.Br

Molecular Weight

  • 405.333
 
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Names and Synonyms

Synonyms

  • Benzeneethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-dimethyl-beta-oxo-, Br
  • Dimethylphenacyl((2,6-xylylcarbamoyl)methyl)ammonium bromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 3131-79-1

System Generated Number

  • 0003131791

Molecular Formulas

Molecular Formula

  • C20-H25-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C20-H25-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.BrH/c1-15-9-8-10-16(2)20(15)21-19(24)14-22(3,4)13-18(23)17-11-6-5-7-12-17;/h5-12H,13-14H2,1-4H3;1H

InChIKey

UFVNECMOFVYMOS-UHFFFAOYSA-N

Smiles

c1(NC(C[N+](CC(c2ccccc2)=O)(C)C)=O)c(cccc1C)C.[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.