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Substance Name: 1-Propanone, 2-methyl-1-(4-(methylsulfonyl)phenyl)-3-(1-piperidinyl)-, hydrochloride
RN: 69566-40-1
InChIKey: TVYKXQFFJSYPCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O3-S.Cl-H

Molecular Weight

  • 345.8886
 
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Names and Synonyms

Synonyms

  • 1-(4-Methylsulfonylphenyl)-3-piperidino-2-methylpropanone-1 hydrochloride
  • 2-Methyl-1-(4-(methylsulfonyl)phenyl)-3-(1-piperidinyl)-1-propanone hydrochloride

Systematic Name

  • 1-Propanone, 2-methyl-1-(4-(methylsulfonyl)phenyl)-3-(1-piperidinyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 69566-40-1

System Generated Number

  • 0069566401

Molecular Formulas

Molecular Formula

  • C16-H23-N-O3-S.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO3S.ClH/c1-13(12-17-10-4-3-5-11-17)16(18)14-6-8-15(9-7-14)21(2,19)20;/h6-9,13H,3-5,10-12H2,1-2H3;1H

InChIKey

TVYKXQFFJSYPCL-UHFFFAOYSA-N

Smiles

CC(CN1CCCCC1)C(=O)c2ccc(cc2)S(=O)(=O)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4237141,