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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-isopropylbenzyl)-, bromide, benzoate (ester)
RN: 102432-95-1
InChIKey: ODEZYVCEPBPLQW-QTORFKIISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N-O2.Br

Molecular Weight

  • 458.4368
 
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Names and Synonyms

Synonyms

  • 8-(p-Isopropylbenzyl)tropinium bromide benzoate
  • N-705
  • Tropinium, 8-(p-isopropylbenzyl)-, bromide, benzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 102432-95-1

System Generated Number

  • 0102432951

Molecular Formulas

Molecular Formula

  • C25-H32-N-O2.Br

Molecular Formula Fragments

  • Br
  • C25-H32-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32NO2.BrH/c1-18(2)20-11-9-19(10-12-20)17-26(3)22-13-14-23(26)16-24(15-22)28-25(27)21-7-5-4-6-8-21;/h4-12,18,22-24H,13-17H2,1-3H3;1H/q+1;/p-1/t22-,23+,24+,26?;

InChIKey

ODEZYVCEPBPLQW-QTORFKIISA-M

Smiles

CC(C)c1ccc(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.