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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-octylbenzyl)-, bromide, xanthene-9-carboxylate (ester)
RN: 102432-99-5
InChIKey: OGOFNOBHYBYEBE-JQVQXGNYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H46-N-O3.Br

Molecular Weight

  • 632.6784
 
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Names and Synonyms

Synonyms

  • 8-(p-Octylbenzyl)tropinium bromide xanthene-9-carboxylate
  • N-865
  • Tropinium, 8-(p-octylbenzyl)-, bromide, xanthene-9-carboxylate

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-(p-octylbenzyl)-, bromide, xanthene-9-carboxylate (ester)

Registry Numbers

CAS Registry Number

  • 102432-99-5

System Generated Number

  • 0102432995

Molecular Formulas

Molecular Formula

  • C37-H46-N-O3.Br

Molecular Formula Fragments

  • Br
  • C37-H46-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C37H46NO3.BrH/c1-3-4-5-6-7-8-13-27-18-20-28(21-19-27)26-38(2)29-22-23-30(38)25-31(24-29)40-37(39)36-32-14-9-11-16-34(32)41-35-17-12-10-15-33(35)36;/h9-12,14-21,29-31,36H,3-8,13,22-26H2,1-2H3;1H/q+1;/p-1/t29-,30+,31+,38?;

InChIKey

OGOFNOBHYBYEBE-JQVQXGNYSA-M

Smiles

CCCCCCCCc1ccc(cc1)C[N+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C4c5ccccc5Oc6c4cccc6)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 144, Pg. 404, 1963.