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Substance Name: Pyridinium, 1-(beta-sec-butoxy-m-chlorophenethyl)-, bromide
RN: 21270-21-3
InChIKey: JAVQXUPBJVGIQF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-Cl-N-O.Br

Molecular Weight

  • 370.716
 
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Names and Synonyms

Synonym

  • 1-(beta-sec-Butoxy-m-chlorophenethyl)pyridinium bromide

Systematic Name

  • Pyridinium, 1-(beta-sec-butoxy-m-chlorophenethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 21270-21-3

System Generated Number

  • 0021270213

Molecular Formulas

Molecular Formula

  • C17-H21-Cl-N-O.Br

Molecular Formula Fragments

  • Br
  • C17-H21-Cl-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21ClNO.BrH/c1-3-14(2)20-17(13-19-10-5-4-6-11-19)15-8-7-9-16(18)12-15;/h4-12,14,17H,3,13H2,1-2H3;1H/q+1;/p-1

InChIKey

JAVQXUPBJVGIQF-UHFFFAOYSA-M

Smiles

c1cccc[n+]1C[C@@H](c1cc(ccc1)Cl)O[C@@H](CC)C.[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.