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Substance Name: Ammonium, (2-benzoylethyl)trimethyl-, iodide
RN: 5724-15-2
InChIKey: GLKZEYDFHOFHIO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N-O.I

Molecular Weight

  • 319.18
 
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Names and Synonyms

Synonyms

  • (2-Benzoylethyl)trimethylammonium iodide
  • AI3-52533

Systematic Names

  • Ammonium, (2-benzoylethyl)trimethyl-, iodide
  • Benzenepropanaminium, N,N,N-trimethyl-gamma-oxo-, iodide

Registry Numbers

CAS Registry Number

  • 5724-15-2

Related Registry Number

  • 24472-88-6 (Parent)

System Generated Number

  • 0005724152

Molecular Formulas

Molecular Formula

  • C12-H18-N-O.I

Molecular Formula Fragments

  • C12-H18-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H18NO.HI/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1

InChIKey

GLKZEYDFHOFHIO-UHFFFAOYSA-M

Smiles

c1(ccccc1)C(CC[N+](C)(C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8mg/kg (8mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 181, Pg. 316, 1969.