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Substance Name: Quinoline, 2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
RN: 57962-00-2
InChIKey: MSCLXDKCXGEGRZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-F3-N3

Molecular Weight

  • 385.4308
 
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Names and Synonyms

Synonyms

  • 2-(2-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)ethyl)quinoline
  • 5-23-03-00078 (Beilstein Handbook Reference)
  • BRN 0577509

Systematic Name

  • Quinoline, 2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 57962-00-2

System Generated Number

  • 0057962002

Structure Descriptors

InChI

1S/C22H22F3N3/c23-22(24,25)18-5-3-6-20(16-18)28-14-12-27(13-15-28)11-10-19-9-8-17-4-1-2-7-21(17)26-19/h1-9,16H,10-15H2

InChIKey

MSCLXDKCXGEGRZ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)ccc(n2)CCN3CCN(CC3)c4cccc(c4)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 28, Pg. 934, 1989.