Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyridinium, 1-(p-cyclohexyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide
RN: 17751-71-2
InChIKey: RUDINGFAKCICMV-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-N-O.Br

Molecular Weight

  • 474.523
 
* 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-(p-Cyclohexyl-beta-((2-ethylhexyl)oxy)phenethyl)pyridinium bromide

Systematic Name

  • Pyridinium, 1-(p-cyclohexyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 17751-71-2

System Generated Number

  • 0017751712

Molecular Formulas

Molecular Formula

  • C27-H40-N-O.Br

Molecular Formula Fragments

  • Br
  • C27-H40-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H40NO.BrH/c1-3-5-12-23(4-2)22-29-27(21-28-19-10-7-11-20-28)26-17-15-25(16-18-26)24-13-8-6-9-14-24;/h7,10-11,15-20,23-24,27H,3-6,8-9,12-14,21-22H2,1-2H3;1H/q+1;/p-1

InChIKey

RUDINGFAKCICMV-UHFFFAOYSA-M

Smiles

c1cccc[n+]1C[C@@H](OC[C@@H](CCCC)CC)c1ccc(cc1)C1CCCCC1.[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.