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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-pentylbenzyl)-, bromide, alpha-phenylcyclohexaneacetate
RN: 102433-00-1
InChIKey: YXMFVCDZFWGTGD-ICBZZEHWSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H48-N-O2.Br

Molecular Weight

  • 582.6622
 
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Names and Synonyms

Synonyms

  • 8-(p-Pentylbenzyl)tropinium bromide alpha-phenylcyclohexaneacetate
  • N-788
  • Tropinium, 8-(p-pentylbenzyl)-, bromide, alpha-phenylcyclohexaneacetate

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-pentylbenzyl)-, bromide, alpha-phenylcyclohexaneacetate

Registry Numbers

CAS Registry Number

  • 102433-00-1

System Generated Number

  • 0102433001

Molecular Formulas

Molecular Formula

  • C34-H48-N-O2.Br

Molecular Formula Fragments

  • Br
  • C34-H48-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C34H48NO2.BrH/c1-3-4-7-12-26-17-19-27(20-18-26)25-35(2)30-21-22-31(35)24-32(23-30)37-34(36)33(28-13-8-5-9-14-28)29-15-10-6-11-16-29;/h5,8-9,13-14,17-20,29-33H,3-4,6-7,10-12,15-16,21-25H2,1-2H3;1H/q+1;/p-1/t30-,31+,32+,33?,35?;

InChIKey

YXMFVCDZFWGTGD-ICBZZEHWSA-M

Smiles

CCCCCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(c4ccccc4)C5CCCCC5)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.