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Substance Name: Ammonium, diethylmethyl(2-(4-(3-octyloxybenzamido)benzoyloxy)ethyl)-, bromide
RN: 51444-60-1
InChIKey: ZZATYNDEHVCYEL-UHFFFAOYSA-N

Molecular Formula

  • C29-H43-N2-O4.Br

Molecular Weight

  • 563.5727
 
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Names and Synonyms

Synonym

  • Diethylmethyl(2-(4-(3-octyloxybenzamido)benzoyloxy)ethyl)ammonium bromide

Systematic Name

  • Ammonium, diethylmethyl(2-(4-(3-octyloxybenzamido)benzoyloxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 51444-60-1

System Generated Number

  • 0051444601

Molecular Formulas

Molecular Formula

  • C29-H43-N2-O4.Br

Molecular Formula Fragments

  • Br
  • C29-H43-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H42N2O4.BrH/c1-5-8-9-10-11-12-21-34-27-15-13-14-25(23-27)28(32)30-26-18-16-24(17-19-26)29(33)35-22-20-31(4,6-2)7-3;/h13-19,23H,5-12,20-22H2,1-4H3;1H

InChIKey

ZZATYNDEHVCYEL-UHFFFAOYSA-N

Smiles

CCCCCCCCOc1cccc(c1)C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 61mg/kg (61mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.