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Substance Name: Ammonium, (3-heptanoyloxy)phenyltrimethyl-, bromide
RN: 63982-07-0
InChIKey: POZZPXLZWADZGS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N-O2.Br

Molecular Weight

  • 344.29
 
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Names and Synonyms

Synonyms

  • (3-Heptanoyloxy)phenyltrimethylammonium bromide
  • (3-Heptoxyphenyl)trimethylammonium bromide
  • Ro 2-2856

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63982-07-0

System Generated Number

  • 0063982070

Molecular Formulas

Molecular Formula

  • C16-H26-N-O2.Br

Molecular Formula Fragments

  • Br
  • C16-H26-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H26NO2.BrH/c1-5-6-7-8-12-16(18)19-15-11-9-10-14(13-15)17(2,3)4;/h9-11,13H,5-8,12H2,1-4H3;1H/q+1;/p-1

InChIKey

POZZPXLZWADZGS-UHFFFAOYSA-M

Smiles

[N+](c1cc(OC(=O)CCCCCC)ccc1)(C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5mg/kg (5mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.