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Substance Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-(2-fluoroethyl)-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride
RN: 109142-55-4
InChIKey: YTEHNGDORBZZEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-F3-N3-O4.Cl-H

Molecular Weight

  • 407.7743
 
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Names and Synonyms

  • 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-(2-fluoroethyl)-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 109142-55-4

System Generated Number

  • 0109142554

Molecular Formulas

Molecular Formula

  • C16-H16-F3-N3-O4.Cl-H

Molecular Formula Fragments

  • C16-H16-F3-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16F3N3O4.ClH/c17-1-2-21-8-10(16(24)25)15(23)9-7-11(18)14(12(19)13(9)21)20-3-5-22(26)6-4-20;/h7-8,26H,1-6H2,(H,24,25);1H

InChIKey

YTEHNGDORBZZEE-UHFFFAOYSA-N

Smiles

c1c2c(c(c(c1F)N3CCN(CC3)O)F)n(cc(c2=O)C(=O)O)CCF.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Journal of Heterocyclic Chemistry. Vol. 26, Pg. 393, 1989.