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Substance Name: Ammonium, (3-acetoxyphenyl)diethylmethyl-, iodide
RN: 17579-39-4
InChIKey: CHYYNAHGXXLTHP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N-O2.I

Molecular Weight

  • 349.206
 
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Names and Synonyms

Synonyms

  • 3-Acetoxyphenyldiethylmethylammonium iodide
  • Ro 2-2651

Systematic Name

  • Ammonium, (3-acetoxyphenyl)diethylmethyl-, iodide

Registry Numbers

CAS Registry Number

  • 17579-39-4

System Generated Number

  • 0017579394

Molecular Formulas

Molecular Formula

  • C13-H20-N-O2.I

Molecular Formula Fragments

  • C13-H20-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C13H20NO2.HI/c1-5-14(4,6-2)12-8-7-9-13(10-12)16-11(3)15;/h7-10H,5-6H2,1-4H3;1H/q+1;/p-1

InChIKey

CHYYNAHGXXLTHP-UHFFFAOYSA-M

Smiles

c1([N+](CC)(CC)C)cc(ccc1)OC(C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8800ug/kg (8.8mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.