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Substance Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-6,8-difluoro-1-ethyl-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride
RN: 109142-53-2
InChIKey: PBVKEPMUNYCTCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-F2-N3-O4.Cl-H

Molecular Weight

  • 389.7842
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 109142-53-2

System Generated Number

  • 0109142532

Molecular Formulas

Molecular Formula

  • C16-H17-F2-N3-O4.Cl-H

Molecular Formula Fragments

  • C16-H17-F2-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17F2N3O4.ClH/c1-2-19-8-10(16(23)24)15(22)9-7-11(17)14(12(18)13(9)19)20-3-5-21(25)6-4-20;/h7-8,25H,2-6H2,1H3,(H,23,24);1H

InChIKey

PBVKEPMUNYCTCK-UHFFFAOYSA-N

Smiles

CCn1cc(c(=O)c2c1c(c(c(c2)F)N3CCN(CC3)O)F)C(=O)O.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.