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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-butylbenzyl)-3-hydroxy-, bromide, benzoate (ester)
RN: 102432-88-2
InChIKey: NSOUQVNFDKWBHW-BNGBYLIKSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N-O2.Br

Molecular Weight

  • 472.4636
 
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Names and Synonyms

Synonyms

  • 8-(p-Butylbenzyl)tropinium bromide benzoate
  • N-703
  • Tropinium, 8-(p-butylbenzyl)-, bromide, benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102432-88-2

System Generated Number

  • 0102432882

Molecular Formulas

Molecular Formula

  • C26-H34-N-O2.Br

Molecular Formula Fragments

  • Br
  • C26-H34-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34NO2.BrH/c1-3-4-8-20-11-13-21(14-12-20)19-27(2)23-15-16-24(27)18-25(17-23)29-26(28)22-9-6-5-7-10-22;/h5-7,9-14,23-25H,3-4,8,15-19H2,1-2H3;1H/q+1;/p-1/t23-,24+,25+,27?;

InChIKey

NSOUQVNFDKWBHW-BNGBYLIKSA-M

Smiles

CCCCc1ccc(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 33mg/kg (33mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.