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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-alpha-hydroxy-8-(p-octylbenzyl)-, bromide, (+-)-tropate
RN: 4739-93-9
InChIKey: JTCAYVYSBOXIMW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H46-N-O3.Br

Molecular Weight

  • 572.623
 
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Names and Synonyms

Synonyms

  • 8-(p-Octylbenzyl)atropinium bromide
  • Atropinium, 8-(p-octylbenzyl)-, bromide
  • N-724

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4739-93-9

System Generated Number

  • 0004739939

Molecular Formulas

Molecular Formula

  • C32-H46-N-O3.Br

Molecular Formula Fragments

  • Br
  • C32-H46-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C32H46NO3.BrH/c1-3-4-5-6-7-9-12-25-15-17-26(18-16-25)23-33(2)28-19-20-29(33)22-30(21-28)36-32(35)31(24-34)27-13-10-8-11-14-27;/h8,10-11,13-18,28-31,34H,3-7,9,12,19-24H2,1-2H3;1H/q+1;/p-1

InChIKey

JTCAYVYSBOXIMW-UHFFFAOYSA-M

Smiles

C1[C@@H]2CC[C@@H](CC1OC(=O)[C@@H](c1ccccc1)CO)[N+]2(Cc1ccc(cc1)CCCCCCCC)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 106mg/kg (106mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 776, 1963.
mouse LD50 oral 370mg/kg (370mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 776, 1963.