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Substance Name: Piperidinium, 1-(3-hydroxy-3-methyl-5-phenyl-4-pentynyl)-1-methyl-, iodide
RN: 53310-33-1
InChIKey: LIGQFXVSOMJRHG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N-O.I

Molecular Weight

  • 399.3094
 
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Names and Synonyms

Synonym

  • 1-(3-Hydroxy-3-methyl-5-phenyl-4-pentynyl)-1-methyl-piperidinium iodide

Systematic Name

  • Piperidinium, 1-(3-hydroxy-3-methyl-5-phenyl-4-pentynyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 53310-33-1

System Generated Number

  • 0053310331

Molecular Formulas

Molecular Formula

  • C18-H26-N-O.I

Molecular Formula Fragments

  • C18-H26-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H26NO.HI/c1-18(20,12-11-17-9-5-3-6-10-17)13-16-19(2)14-7-4-8-15-19;/h3,5-6,9-10,20H,4,7-8,13-16H2,1-2H3;1H/q+1;/p-1

InChIKey

LIGQFXVSOMJRHG-UHFFFAOYSA-M

Smiles

CC(CC[N+]1(CCCCC1)C)(C#Cc2ccccc2)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1100mg/kg (1100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 59, 1974.