Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isoquinolinium, carboxymethyl-, bromide, methyl ester
RN: 55841-58-2
InChIKey: KUMUSIFXECKUCC-UHFFFAOYSA-N

Molecular Formula

  • C12-H12-N-O2.Br

Molecular Weight

  • 282.136
 
* 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

  • AI3-51342
  • Isoquinolinium, methoxycarbonylmethyl-, bromide

Systematic Names

  • Isoquinolinium, 2-(2-methoxy-2-oxoethyl)-, bromide
  • Isoquinolinium, carboxymethyl-, bromide, methyl ester

Registry Numbers

CAS Registry Number

  • 55841-58-2

System Generated Number

  • 0055841582

Molecular Formulas

Molecular Formula

  • C12-H12-N-O2.Br

Molecular Formula Fragments

  • Br
  • C12-H12-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H11NO2.BrH/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11;/h2-7H,8H2,1H3;1H

InChIKey

KUMUSIFXECKUCC-UHFFFAOYSA-N

Smiles

c12c(CC(OC)=O)[n+]ccc1cccc2.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04161,