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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-ethylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate, cis-
RN: 102432-94-0
InChIKey: IUYKFNDYYJOUQO-DQAJEOMMSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H34-N-O3.Br

Molecular Weight

  • 488.4626
 
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Names and Synonyms

Synonyms

  • Atropinium, 8-(p-ethylbenzyl)-, bromide, cis-
  • beta-8-(p-Ethylbenzyl)atropinium bromide
  • N-784
  • RTECS YO2898000

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102432-94-0

System Generated Number

  • 0102432940

Molecular Formulas

Molecular Formula

  • C26-H34-N-O3.Br

Molecular Formula Fragments

  • Br
  • C26-H34-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C26H34NO3.BrH/c1-3-19-9-11-20(12-10-19)17-27(2)22-13-14-23(27)16-24(15-22)30-26(29)25(18-28)21-7-5-4-6-8-21;/h4-12,22-25,28H,3,13-18H2,1-2H3;1H/q+1;/p-1/t22-,23+,24-,25?,27?;

InChIKey

IUYKFNDYYJOUQO-DQAJEOMMSA-M

Smiles

CCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2C[C@@H](C3)OC(=O)C(CO)c4ccccc4)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.