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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-octyl-, bromide, 4-hydroxy-2-phenylbutanoate
RN: 74051-34-6
InChIKey: NLRVVVDXCCJPPS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H42-N-O3.Br

Molecular Weight

  • 496.5258
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-8-octyl-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-octyl-, bromide, 4-hydroxy-2-phenylbutanoate

Registry Numbers

CAS Registry Number

  • 74051-34-6

System Generated Number

  • 0074051346

Molecular Formulas

Molecular Formula

  • C26-H42-N-O3.Br

Molecular Formula Fragments

  • Br
  • C26-H42-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C26H42NO3.BrH/c1-3-4-5-6-7-11-17-27(2)22-14-15-23(27)20-24(19-22)30-26(29)25(16-18-28)21-12-9-8-10-13-21;/h8-10,12-13,22-25,28H,3-7,11,14-20H2,1-2H3;1H/q+1;/p-1

InChIKey

NLRVVVDXCCJPPS-UHFFFAOYSA-M

Smiles

CCCCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)c3ccccc3)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 330mg/kg (330mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 217, 1957.