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Substance Name: Ammonium, (3-cinnamoyloxy)phenyltrimethyl-, bromide
RN: 63957-45-9
InChIKey: TZEGEDDAQGVPCE-UEIGIMKUSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N-O2.Br

Molecular Weight

  • 362.265
 
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Names and Synonyms

Synonyms

  • (3-Cinnamoyloxy)phenyltrimethylammonium bromide
  • Ro 2-2951

Systematic Name

  • Ammonium, (3-cinnamoyloxy)phenyltrimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 63957-45-9

System Generated Number

  • 0063957459

Molecular Formulas

Molecular Formula

  • C18-H20-N-O2.Br

Molecular Formula Fragments

  • Br
  • C18-H20-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20NO2.BrH/c1-19(2,3)16-10-7-11-17(14-16)21-18(20)13-12-15-8-5-4-6-9-15;/h4-14H,1-3H3;1H/q+1;/p-1/b13-12+;

InChIKey

TZEGEDDAQGVPCE-UEIGIMKUSA-M

Smiles

c1(cc(ccc1)[N+](C)(C)C)OC(\C=C\c1ccccc1)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11mg/kg (11mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.