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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 8-(p-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate
RN: 101636-41-3
InChIKey: QUELHIJHNMCCDX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N-O3.Br

Molecular Weight

  • 516.5162
 
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Names and Synonyms

Synonyms

  • 8-(p-Butylbenzyl)atropinium bromide
  • Atropinium, 8-(p-butylbenzyl)-, bromide
  • N-682

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101636-41-3

System Generated Number

  • 0101636413

Molecular Formulas

Molecular Formula

  • C28-H38-N-O3.Br

Molecular Formula Fragments

  • Br
  • C28-H38-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H38NO3.BrH/c1-3-4-8-21-11-13-22(14-12-21)19-29(2)24-15-16-25(29)18-26(17-24)32-28(31)27(20-30)23-9-6-5-7-10-23;/h5-7,9-14,24-27,30H,3-4,8,15-20H2,1-2H3;1H/q+1;/p-1

InChIKey

QUELHIJHNMCCDX-UHFFFAOYSA-M

Smiles

CCCCc1ccc(cc1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)c4ccccc4)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.