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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-pentylbenzyl)-, bromide, benzoate (ester)
RN: 102263-14-9
InChIKey: JUOKBYIVHAVHOR-GEFUFMDTSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H36-N-O2.Br

Molecular Weight

  • 486.4904
 
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Names and Synonyms

Synonyms

  • 8-(p-Pentylbenzyl)tropinium bromide benzoate
  • N-72
  • Tropinium, 8-(p-pentylbenzyl)-, bromide, benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102263-14-9

System Generated Number

  • 0102263149

Molecular Formulas

Molecular Formula

  • C27-H36-N-O2.Br

Molecular Formula Fragments

  • Br
  • C27-H36-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C27H36NO2.BrH/c1-3-4-6-9-21-12-14-22(15-13-21)20-28(2)24-16-17-25(28)19-26(18-24)30-27(29)23-10-7-5-8-11-23;/h5,7-8,10-15,24-26H,3-4,6,9,16-20H2,1-2H3;1H/q+1;/p-1/t24-,25+,26+,28?;

InChIKey

JUOKBYIVHAVHOR-GEFUFMDTSA-M

Smiles

CCCCCc1ccc(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 50mg/kg (50mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.