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Substance Name: 4-Quinolinemethanol, 6,8-dichloro-alpha-(2-piperidyl)-2-(trifluoromethyl)-, methanesulfonate,hemihydrate
RN: 76487-48-4
InChIKey: BKVZXESTLGCNPZ-NXCSSKFKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl2-F3-N2-O.C-H4-O3-S.1/2H2-O

Molecular Weight

  • 475.3131
 
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Names and Synonyms

Synonym

  • WR 226253

Systematic Name

  • 4-Quinolinemethanol, 6,8-dichloro-alpha-(2-piperidyl)-2-(trifluoromethyl)-, methanesulfonate,hemihydrate

Registry Numbers

CAS Registry Number

  • 76487-48-4

System Generated Number

  • 0076487484

Molecular Formulas

Molecular Formula

  • C16-H17-Cl2-F3-N2-O.C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C16-H17-Cl2-F3-N2-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H15Cl2F3N2O.CH4O3S/c17-8-5-9-10(15(24)12-3-1-2-4-22-12)7-13(16(19,20)21)23-14(9)11(18)6-8;1-5(2,3)4/h5-7,12,15,22,24H,1-4H2;1H3,(H,2,3,4)/t12-,15-;/m0./s1

InChIKey

BKVZXESTLGCNPZ-NXCSSKFKSA-N

Smiles

CS(=O)(=O)O.c1c(cc(c2c1c(cc(n2)C(F)(F)F)[C@@H]([C@@H]3CCCCN3)O)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 57400ug/kg (57.4mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.
rat LD50 oral 1134mg/kg (1134mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.