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Substance Name: Pyridinium, 1-(beta-((2-ethylhexyl)oxy)-p-hexylphenethyl)-, bromide
RN: 17751-70-1
InChIKey: ZDWZVXLWOKADFP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H42-N-O.Br

Molecular Weight

  • 476.539
 
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Names and Synonyms

Synonym

  • 1-(beta-((2-Ethylhexyl)oxy)-p-hexylphenethyl)pyridinium bromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17751-70-1

System Generated Number

  • 0017751701

Molecular Formulas

Molecular Formula

  • C27-H42-N-O.Br

Molecular Formula Fragments

  • Br
  • C27-H42-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C27H42NO.BrH/c1-4-7-9-11-15-25-16-18-26(19-17-25)27(22-28-20-12-10-13-21-28)29-23-24(6-3)14-8-5-2;/h10,12-13,16-21,24,27H,4-9,11,14-15,22-23H2,1-3H3;1H/q+1;/p-1

InChIKey

ZDWZVXLWOKADFP-UHFFFAOYSA-M

Smiles

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