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Substance Name: Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide
RN: 3131-77-9
InChIKey: XNFIRDYGKUQDLN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N2-O.Br

Molecular Weight

  • 405.377
 
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Names and Synonyms

Synonyms

  • Benzenepropanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-dimethyl-, bromide
  • Dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)ammonium bromide

Systematic Name

  • Ammonium, dimethyl(3-phenylpropyl)((2,6-xylylcarbamoyl)methyl)-, bromide

Registry Numbers

CAS Registry Number

  • 3131-77-9

System Generated Number

  • 0003131779

Molecular Formulas

Molecular Formula

  • C21-H29-N2-O.Br

Molecular Formula Fragments

  • Br
  • C21-H29-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N2O.BrH/c1-17-10-8-11-18(2)21(17)22-20(24)16-23(3,4)15-9-14-19-12-6-5-7-13-19;/h5-8,10-13H,9,14-16H2,1-4H3;1H

InChIKey

XNFIRDYGKUQDLN-UHFFFAOYSA-N

Smiles

c1(NC(C[N+](CCCc2ccccc2)(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.