Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyridinium, 1-(m-chloro-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide
RN: 17810-52-5
InChIKey: MIBXGEZXRVEYMX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-Cl-N-O.Br

Molecular Weight

  • 426.823
 
* 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

Synonym

  • 1-(m-Chloro-beta-((2-ethylhexyl)oxy)phenethyl)pyridinium bromide

Systematic Name

  • Pyridinium, 1-(m-chloro-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 17810-52-5

System Generated Number

  • 0017810525

Molecular Formulas

Molecular Formula

  • C21-H29-Cl-N-O.Br

Molecular Formula Fragments

  • Br
  • C21-H29-Cl-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29ClNO.BrH/c1-3-5-10-18(4-2)17-24-21(16-23-13-7-6-8-14-23)19-11-9-12-20(22)15-19;/h6-9,11-15,18,21H,3-5,10,16-17H2,1-2H3;1H/q+1;/p-1

InChIKey

MIBXGEZXRVEYMX-UHFFFAOYSA-M

Smiles

c1cccc[n+]1C[C@@H](OC[C@@H](CCCC)CC)c1cc(ccc1)Cl.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 250mg/kg (250mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 81, 1968.