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Substance Name: Pyridinium, 1-(p-cyclopentyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide
RN: 17751-73-4
InChIKey: QSCDFQKBLSVNKT-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H38-N-O.Br

Molecular Weight

  • 460.496
 
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Names and Synonyms

Synonym

  • 1-(p-Cyclopentyl-beta-((2-ethylhexyl)oxy)phenethyl)pyridinium bromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17751-73-4

System Generated Number

  • 0017751734

Molecular Formulas

Molecular Formula

  • C26-H38-N-O.Br

Molecular Formula Fragments

  • Br
  • C26-H38-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C26H38NO.BrH/c1-3-5-11-22(4-2)21-28-26(20-27-18-9-6-10-19-27)25-16-14-24(15-17-25)23-12-7-8-13-23;/h6,9-10,14-19,22-23,26H,3-5,7-8,11-13,20-21H2,1-2H3;1H/q+1;/p-1

InChIKey

QSCDFQKBLSVNKT-UHFFFAOYSA-M

Smiles

c1cccc[n+]1C[C@@H](OC[C@@H](CCCC)CC)c1ccc(cc1)C1CCCC1.[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.