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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-ethylbenzyl)-3-hydroxy-, bromide, benzoate (ester), cis-
RN: 102432-91-7
InChIKey: VTDVCJKOQCCORS-DQSOKRPNSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N-O2.Br

Molecular Weight

  • 444.41
 
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Names and Synonyms

Synonyms

  • beta-8-(p-Ethylbenzyl)tropinium bromide benzoate
  • N-848
  • Tropinium, 8-(p-ethylbenzyl)-, bromide, benzoate, cis-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102432-91-7

System Generated Number

  • 0102432917

Molecular Formulas

Molecular Formula

  • C24-H30-N-O2.Br

Molecular Formula Fragments

  • Br
  • C24-H30-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30NO2.BrH/c1-3-18-9-11-19(12-10-18)17-25(2)21-13-14-22(25)16-23(15-21)27-24(26)20-7-5-4-6-8-20;/h4-12,21-23H,3,13-17H2,1-2H3;1H/q+1;/p-1/t21-,22+,23-,25?;

InChIKey

VTDVCJKOQCCORS-DQSOKRPNSA-M

Smiles

CCc1ccc(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 69mg/kg (69mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.