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Substance Name: Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate
RN: 24070-44-8
InChIKey: VUNSESZNCFPQAI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N-O3.Br

Molecular Weight

  • 358.274
 
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Names and Synonyms

Synonym

  • (3-Benzoylpropyl)(2-hydroxyethyl)dimethylammonium bromide acetate

Systematic Name

  • Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate

Registry Numbers

CAS Registry Number

  • 24070-44-8

System Generated Number

  • 0024070448

Molecular Formulas

Molecular Formula

  • C16-H24-N-O3.Br

Molecular Formula Fragments

  • Br
  • C16-H24-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24NO3.BrH/c1-14(18)20-13-12-17(2,3)11-7-10-16(19)15-8-5-4-6-9-15;/h4-6,8-9H,7,10-13H2,1-3H3;1H/q+1;/p-1

InChIKey

VUNSESZNCFPQAI-UHFFFAOYSA-M

Smiles

[N+](CCOC(C)=O)(CCCC(c1ccccc1)=O)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 44mg/kg (44mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 402, 1969.