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Substance Name: Piperidinium, 1-(4-cyclohexyl-4-hydroxy-4-phenyl-2-butynyl)-1-methyl-, bromide
RN: 2110-42-1
InChIKey: KSBQPXXTFRCVKA-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H32-N-O.Br

Molecular Weight

  • 406.405
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 2110-42-1

System Generated Number

  • 0002110421

Molecular Formulas

Molecular Formula

  • C22-H32-N-O.Br

Molecular Formula Fragments

  • Br
  • C22-H32-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C22H32NO.BrH/c1-23(17-9-4-10-18-23)19-11-16-22(24,20-12-5-2-6-13-20)21-14-7-3-8-15-21;/h2,5-6,12-13,21,24H,3-4,7-10,14-15,17-19H2,1H3;1H/q+1;/p-1

InChIKey

KSBQPXXTFRCVKA-UHFFFAOYSA-M

Smiles

[N+]1(CCCCC1)(C)CC#C[C@@](c1ccccc1)(O)C1CCCCC1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 440mg/kg (440mg/kg)   Acta Pharmaceutica Suecica. Vol. 1, Pg. 237, 1964.