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Substance Name: Ethanone, 1-(2-(4-chlorophenyl)-4-quinolinyl)-2-(4-piperidinyl)-, monomethanesulfonate
RN: 80221-39-2
InChIKey: QLTGGIKCKQQLTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-Cl-N2-O.C-H4-O3-S

Molecular Weight

  • 460.9795
 
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Names and Synonyms

Synonyms

  • 1-(2-(4-Chlorophenyl)-4-quinolinyl)-2-(4-piperidinyl)ethanone monomethanesulfonate
  • 1-(2-(4-Chlorophenyl)-4-quinolyl)-2-(4-piperidyl)ethanone methanesulphonic acid

Systematic Name

  • Ethanone, 1-(2-(4-chlorophenyl)-4-quinolinyl)-2-(4-piperidinyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 80221-39-2

System Generated Number

  • 0080221392

Molecular Formulas

Molecular Formula

  • C22-H21-Cl-N2-O.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H21-Cl-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C22H21ClN2O.CH4O3S/c23-17-7-5-16(6-8-17)21-14-19(18-3-1-2-4-20(18)25-21)22(26)13-15-9-11-24-12-10-15;1-5(2,3)4/h1-8,14-15,24H,9-13H2;1H3,(H,2,3,4)

InChIKey

QLTGGIKCKQQLTK-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1ccc2c(c1)c(cc(n2)c3ccc(cc3)Cl)C(=O)CC4CCNCC4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4505916,