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Substance Name: 8-(p-Methylbenzyl)pseudotropinium bromide, benzoate
RN: 100659-30-1
InChIKey: PYWOSTLJEWWZDK-JAQQHUFYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N-O2.Br

Molecular Weight

  • 430.3832
 
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Names and Synonyms

Results Name

  • 8-(p-Methylbenzyl)pseudotropinium bromide, benzoate

Synonyms

  • beta-8-(p-Methylbenzyl)tropinium bromide benzoate
  • N-867
  • Tropinium, 8-(p-methylbenzyl)-, bromide, benzoate, cis-

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-methylbenzyl)-, bromide, benzoate (ester), cis-

Registry Numbers

CAS Registry Number

  • 100659-30-1

System Generated Number

  • 0100659301

Molecular Formulas

Molecular Formula

  • C23-H28-N-O2.Br

Molecular Formula Fragments

  • Br
  • C23-H28-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28NO2.BrH/c1-17-8-10-18(11-9-17)16-24(2)20-12-13-21(24)15-22(14-20)26-23(25)19-6-4-3-5-7-19;/h3-11,20-22H,12-16H2,1-2H3;1H/q+1;/p-1/t20-,21+,22+,24?;

InChIKey

PYWOSTLJEWWZDK-JAQQHUFYSA-M

Smiles

Cc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)c4ccccc4)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 42mg/kg (42mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.