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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-tert-butylbenzyl)-3-hydroxy-, bromide, benzoate (ester)
RN: 102432-89-3
InChIKey: YTOLCGWEPQILNR-YFPCCKEESA-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-tert-Butylbenzyl)tropinium bromide benzoate
  • N-707
  • Tropinium, 8-(p-tert-butylbenzyl)-, bromide, benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102432-89-3

System Generated Number

  • 0102432893

Molecular Formulas

Molecular Formula

  • C26-H34-N-O2.Br

Molecular Formula Fragments

  • Br
  • C26-H34-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34NO2.BrH/c1-26(2,3)21-12-10-19(11-13-21)18-27(4)22-14-15-23(27)17-24(16-22)29-25(28)20-8-6-5-7-9-20;/h5-13,22-24H,14-18H2,1-4H3;1H/q+1;/p-1/t22-,23+,24+,27?;

InChIKey

YTOLCGWEPQILNR-YFPCCKEESA-M

Smiles

CC(C)(C)c1ccc(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 76mg/kg (76mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.