Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)
RN: 63870-00-8
InChIKey: NSHIECYVKDXKIR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N-O2.Br

Molecular Weight

  • 350.254
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-(m-Toluoyloxy)phenyltrimethylammonium bromide
  • Ammonium, 3-(m-toluoyloxy)phenyltrimethyl-, bromide
  • Ro 2-2783

Systematic Name

  • Ammonium, (3-hydroxyphenyl)trimethyl-, bromide, m-toluate (ester)

Registry Numbers

CAS Registry Number

  • 63870-00-8

System Generated Number

  • 0063870008

Molecular Formulas

Molecular Formula

  • C17-H20-N-O2.Br

Molecular Formula Fragments

  • Br
  • C17-H20-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20NO2.BrH/c1-13-7-5-8-14(11-13)17(19)20-16-10-6-9-15(12-16)18(2,3)4;/h5-12H,1-4H3;1H/q+1;/p-1

InChIKey

NSHIECYVKDXKIR-UHFFFAOYSA-M

Smiles

c1(cc(ccc1)[N+](C)(C)C)OC(c1cc(ccc1)C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7800ug/kg (7.8mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.