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Substance Name: Ammonium, diethylmethyl(2-(4-(2-octyloxybenzamido)benzamido)ethyl)-, bromide
RN: 51444-61-2
InChIKey: JDHRFYGIZSEITO-UHFFFAOYSA-N

Molecular Formula

  • C29-H44-N3-O3.Br

Molecular Weight

  • 562.5886
 
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Names and Synonyms

Synonym

  • Diethylmethyl(2-(4-(2-octyloxybenzamido)benzamido)ethyl)ammonium bromide

Systematic Name

  • Ammonium, diethylmethyl(2-(4-(2-octyloxybenzamido)benzamido)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 51444-61-2

System Generated Number

  • 0051444612

Molecular Formulas

Molecular Formula

  • C29-H44-N3-O3.Br

Molecular Formula Fragments

  • Br
  • C29-H44-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C29H43N3O3.BrH/c1-5-8-9-10-11-14-23-35-27-16-13-12-15-26(27)29(34)31-25-19-17-24(18-20-25)28(33)30-21-22-32(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3,(H-,30,31,33,34);1H

InChIKey

JDHRFYGIZSEITO-UHFFFAOYSA-N

Smiles

CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)NCC[N+](C)(CC)CC.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 87mg/kg (87mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.