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Substance Name: Pyrrolidinium, 1-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-1-methyl-, bromide
RN: 2110-43-2
InChIKey: SKYTWGQSJMTVNR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N-O.Br

Molecular Weight

  • 392.378
 
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Names and Synonyms

Synonym

  • 1-(4-Cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-1-methylpyrrolidinium bromide

Systematic Name

  • Pyrrolidinium, 1-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-1-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 2110-43-2

System Generated Number

  • 0002110432

Molecular Formulas

Molecular Formula

  • C21-H30-N-O.Br

Molecular Formula Fragments

  • Br
  • C21-H30-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30NO.BrH/c1-22(16-8-9-17-22)18-10-15-21(23,19-11-4-2-5-12-19)20-13-6-3-7-14-20;/h2,4-5,11-12,20,23H,3,6-9,13-14,16-18H2,1H3;1H/q+1;/p-1

InChIKey

SKYTWGQSJMTVNR-UHFFFAOYSA-M

Smiles

[N+]1(CCCC1)(C)CC#C[C@@](c1ccccc1)(O)C1CCCCC1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 450mg/kg (450mg/kg)   Acta Pharmaceutica Suecica. Vol. 1, Pg. 237, 1964.