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Substance Name: Pyridinium, 1-(3,4-dichloro-beta-((2-ethylhexyl)oxy)-phenethyl)-, bromide
RN: 17751-68-7
InChIKey: OYDHAGUIMWWLLC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-Cl2-N-O.Br

Molecular Weight

  • 461.268
 
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Names and Synonyms

Synonym

  • 1-(3,4-Dichloro-beta-((2-ethylhexyl)oxy)phenethyl)pyridinium bromide

Systematic Name

  • Pyridinium, 1-(3,4-dichloro-beta-((2-ethylhexyl)oxy)-phenethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 17751-68-7

System Generated Number

  • 0017751687

Molecular Formulas

Molecular Formula

  • C21-H28-Cl2-N-O.Br

Molecular Formula Fragments

  • Br
  • C21-H28-Cl2-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28Cl2NO.BrH/c1-3-5-9-17(4-2)16-25-21(15-24-12-7-6-8-13-24)18-10-11-19(22)20(23)14-18;/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3;1H/q+1;/p-1

InChIKey

OYDHAGUIMWWLLC-UHFFFAOYSA-M

Smiles

c1cccc[n+]1C[C@@H](OC[C@@H](CCCC)CC)c1cc(c(cc1)Cl)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.