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Substance Name: Pyridinium, 1-(beta-butoxy-p-octylphenethyl)-, bromide
RN: 17810-51-4
InChIKey: IDXRXWVQNWWPNE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H38-N-O.Br

Molecular Weight

  • 448.485
 
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Names and Synonyms

Synonym

  • 1-(beta-Butoxy-p-octylphenethyl)pyridinium bromide

Systematic Name

  • Pyridinium, 1-(beta-butoxy-p-octylphenethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 17810-51-4

System Generated Number

  • 0017810514

Molecular Formulas

Molecular Formula

  • C25-H38-N-O.Br

Molecular Formula Fragments

  • Br
  • C25-H38-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C25H38NO.BrH/c1-3-5-7-8-9-11-14-23-15-17-24(18-16-23)25(27-21-6-4-2)22-26-19-12-10-13-20-26;/h10,12-13,15-20,25H,3-9,11,14,21-22H2,1-2H3;1H/q+1;/p-1

InChIKey

IDXRXWVQNWWPNE-UHFFFAOYSA-M

Smiles

c1cccc[n+]1C[C@@H](c1ccc(cc1)CCCCCCCC)OCCCC.[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.