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Substance Name: Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide
RN: 26187-16-6
InChIKey: WVBVSBYZWUVPMZ-UHFFFAOYSA-N

Molecular Formula

  • C30-H45-N2-O4.Br

Molecular Weight

  • 577.599
 
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Names and Synonyms

Synonym

  • Diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)ammonium bromide

Systematic Name

  • Ammonium, diethylmethyl(2-(4-(2-nonoxybenzamido)benzoyloxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 26187-16-6

System Generated Number

  • 0026187166

Molecular Formulas

Molecular Formula

  • C30-H45-N2-O4.Br

Molecular Formula Fragments

  • Br
  • C30-H45-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H44N2O4.BrH/c1-5-8-9-10-11-12-15-23-35-28-17-14-13-16-27(28)29(33)31-26-20-18-25(19-21-26)30(34)36-24-22-32(4,6-2)7-3;/h13-14,16-21H,5-12,15,22-24H2,1-4H3;1H

InChIKey

WVBVSBYZWUVPMZ-UHFFFAOYSA-N

Smiles

C(c1c(OCCCCCCCCC)cccc1)(Nc1ccc(C(=O)OCC[N+](CC)(CC)C)cc1)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.