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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-octylbenzyl)-, bromide, benzoate (ester)
RN: 58128-72-6
InChIKey: SJCMALRVQZBXLS-IWXIXTJGSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H42-N-O2.Br

Molecular Weight

  • 528.5708
 
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Names and Synonyms

Synonyms

  • 8-(p-Cotylbenzyl)tropinium bromide benzoate
  • N-710
  • Tropinium, 8-(p-octylbenzyl)-, bromide, benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58128-72-6

System Generated Number

  • 0058128726

Molecular Formulas

Molecular Formula

  • C30-H42-N-O2.Br

Molecular Formula Fragments

  • Br
  • C30-H42-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C30H42NO2.BrH/c1-3-4-5-6-7-9-12-24-15-17-25(18-16-24)23-31(2)27-19-20-28(31)22-29(21-27)33-30(32)26-13-10-8-11-14-26;/h8,10-11,13-18,27-29H,3-7,9,12,19-23H2,1-2H3;1H/q+1;/p-1/t27-,28+,29?,31?;

InChIKey

SJCMALRVQZBXLS-IWXIXTJGSA-M

Smiles

CCCCCCCCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2CC(C3)OC(=O)c4ccccc4)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.