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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate
RN: 2486-99-9
InChIKey: TXLAKDIEDKPHEF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N-O3.Br

Molecular Weight

  • 474.436
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-8-propyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate

Registry Numbers

CAS Registry Number

  • 2486-99-9

System Generated Number

  • 0002486999

Molecular Formulas

Molecular Formula

  • C25-H32-N-O3.Br

Molecular Formula Fragments

  • Br
  • C25-H32-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H32NO3.BrH/c1-3-16-26(2)21-14-15-22(26)18-23(17-21)29-24(27)25(28,19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,21-23,28H,3,14-18H2,1-2H3;1H/q+1;/p-1

InChIKey

TXLAKDIEDKPHEF-UHFFFAOYSA-M

Smiles

C1C[C@@H]2CC(OC(C(O)(c3ccccc3)c3ccccc3)=O)C[C@@H]1[N+]2(C)CCC.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 225mg/kg (225mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 217, 1957.