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Substance Name: Pyridinium, 1-(m-cyclohexyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide
RN: 17751-72-3
InChIKey: ZHXBWJZVVDQMBF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H40-O.Br

Molecular Weight

  • 474.523
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17751-72-3

System Generated Number

  • 0017751723

Molecular Formulas

Molecular Formula

  • C27-H40-O.Br

Molecular Formula Fragments

  • Br
  • C27-H40-O
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

ZHXBWJZVVDQMBF-UHFFFAOYSA-M

Smiles

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