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Substance Name: Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate
RN: 7350-01-8
InChIKey: OXOHQYAPQJZIOO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N-O.C7-H7-O3-S

Molecular Weight

  • 496.688
 
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Names and Synonyms

Synonym

  • (1-((2-Benzylphenoxy)methyl)ethyl)-1-methylpiperidinium toluenesulfonate

Systematic Name

  • Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate

Registry Numbers

CAS Registry Number

  • 7350-01-8

System Generated Number

  • 0007350018

Molecular Formulas

Molecular Formula

  • C22-H30-N-O.C7-H7-O3-S

Molecular Formula Fragments

  • C22-H30-N-O
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30NO.C7H8O3S/c1-19(23(2)15-9-4-10-16-23)18-24-22-14-8-7-13-21(22)17-20-11-5-3-6-12-20;1-6-2-4-7(5-3-6)11(8,9)10/h3,5-8,11-14,19H,4,9-10,15-18H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;

InChIKey

OXOHQYAPQJZIOO-UHFFFAOYSA-N

Smiles

c1(S(=O)(O)=O)ccc(C)cc1.[N+]1(CCCCC1)([C@@H](COc1c(cccc1)Cc1ccccc1)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 95mg/kg (95mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.