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Substance Name: Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide
RN: 51444-65-6
InChIKey: CKUGIFIXEQRSLU-UHFFFAOYSA-M

Molecular Formula

  • C22-H38-N-O3.Br

Molecular Weight

  • 444.4502
 
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Names and Synonyms

Synonym

  • Diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)ammonium bromide

Systematic Name

  • Ammonium, diethylmethyl(2-(2-octyloxybenzoyloxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 51444-65-6

System Generated Number

  • 0051444656

Molecular Formulas

Molecular Formula

  • C22-H38-N-O3.Br

Molecular Formula Fragments

  • Br
  • C22-H38-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H38NO3.BrH/c1-5-8-9-10-11-14-18-25-21-16-13-12-15-20(21)22(24)26-19-17-23(4,6-2)7-3;/h12-13,15-16H,5-11,14,17-19H2,1-4H3;1H/q+1;/p-1

InChIKey

CKUGIFIXEQRSLU-UHFFFAOYSA-M

Smiles

CCCCCCCCOc1ccccc1C(=O)OCC[N+](C)(CC)CC.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1063, 1973.