Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, (2-acetoxy-3,5-dimethyl)phenyltrimethyl-, bromide
RN: 64048-54-0
InChIKey: PTOLALBYYJIENX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N-O2.Br

Molecular Weight

  • 302.21
 
* 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

  • (2-Acetoxy-3,5-dimethyl)phenyltrimethylammonium bromide
  • Ro 2-2649

Systematic Name

  • Ammonium, (2-acetoxy-3,5-dimethyl)phenyltrimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 64048-54-0

System Generated Number

  • 0064048540

Molecular Formulas

Molecular Formula

  • C13-H20-N-O2.Br

Molecular Formula Fragments

  • Br
  • C13-H20-N-O2
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

PTOLALBYYJIENX-UHFFFAOYSA-M

Smiles

c1(c(cc(C)cc1C)[N+](C)(C)C)OC(C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3300ug/kg (3.3mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 16, 1950.