Flumequine

Synonyms: flumequine, "Flumigal", "Apurone", "9-Fluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid", "Flumequinum", "Imequyl", "Flumisol", "Flumiquil", "Flumequino", "9-fluoro-6,7-dihydro-5-methyl-1-oxo-1h,5h-benzo[ij]quinolizine-2-carboxylic acid"

Source: Flumequine is a quinolone derivative used in veterinary medicine to treat enteric infections, mainly those caused by Gram negative bacteria and also some Gram positive.

Identifiers:

IUPAC Name: 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
CAS Number: 42835-25-6
PubChem ID: 3374
InChiKey: DPSPPJIUMHPXMA-UHFFFAOYSA-N
Canonical SMILES: CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2)F)C(=O)O

Structural Properties:

Molecular Formula: C₁₄H₁₂FNO₃
Molecular Weight: 261,250

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 19

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Evidence Supporting This Chemical as an Emerging Contaminant

Lai, W. W. P., Lin, Y. C., Wang, Y. H., Guo, Y. L., & Lin, A. Y. C. (2018). Occurrence of emerging contaminants in aquaculture waters: cross-contamination between aquaculture systems and surrounding waters. Water, Air, & Soil Pollution, 229(8), 249.

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2D-structure

3D-structure