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Substance Name: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-nonyl-, bromide, 4-hydroxy-2-phenylbutanoate
RN: 74063-36-8
InChIKey: GRAQCUCOHIMWDP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H44-N-O3.Br

Molecular Weight

  • 510.5526
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 74063-36-8

System Generated Number

  • 0074063368

Molecular Formulas

Molecular Formula

  • C27-H44-N-O3.Br

Molecular Formula Fragments

  • Br
  • C27-H44-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H44NO3.BrH/c1-3-4-5-6-7-8-12-18-28(2)23-15-16-24(28)21-25(20-23)31-27(30)26(17-19-29)22-13-10-9-11-14-22;/h9-11,13-14,23-26,29H,3-8,12,15-21H2,1-2H3;1H/q+1;/p-1

InChIKey

GRAQCUCOHIMWDP-UHFFFAOYSA-M

Smiles

CCCCCCCCC[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 135mg/kg (135mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 217, 1957.