1.0 2016-05-22 05:49:45 UTC 2026-08-19 20:13:34 UTC Marbofloxacin SmallMolecule Marbofloxacin is an organic compound with the formula C17H19FN4O4 and an average molecular weight of 362.36 g/mol. Marbofloxacin belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. This substance is identified as being found in or released from four recorded sources: drinking water and water supply, antibiotics within healthcare, pharmaceuticals and veterinary products, electrically stimulated smoking devices under electrical and electronic equipment, and non-electric simulated smoking devices among household cleaning and consumer products. Recorded exposure routes for the compound include oral and inhalation. C17H19FN4O4 362.361 362.139033271 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid marbofloxacin 115550-35-1 CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3N(C)COC1=C23)C(O)=O InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25) BPFYOAJNDMUVBL-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Quinoline carboxylic acids Amino acids Aminoquinolines and derivatives Aryl fluorides Azacyclic compounds Benzenoids Carboxylic acids Dialkylarylamines Fluoroquinolones Haloquinolines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Monocarboxylic acids and derivatives N-arylpiperazines N-methylpiperazines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Pyridinecarboxylic acids Trialkylamines Vinylogous amides 1,4-diazinane Amine Amino acid Amino acid or derivatives Aminoquinoline Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Dialkylarylamine Dihydroquinoline Dihydroquinolone Fluoroquinolone Haloquinoline Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives N-alkylpiperazine N-arylpiperazine N-methylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Piperazine Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline-3-carboxylic acid Tertiary aliphatic amine Tertiary aliphatic/aromatic amine Tertiary amine Vinylogous amide Aromatic heteropolycyclic compounds Detected and Not Quantified logp -0.045 logp -0.53 ALOGPS logs -2.14 ALOGPS solubility 2.60e+00 g/l ALOGPS logp -0.045 ChemAxon pka_strongest_acidic 5.38 ChemAxon pka_strongest_basic 6.16 ChemAxon iupac 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid ChemAxon average_mass 362.361 ChemAxon mono_mass 362.139033271 ChemAxon smiles CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3N(C)COC1=C23)C(O)=O ChemAxon formula C17H19FN4O4 ChemAxon inchi InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25) ChemAxon inchikey BPFYOAJNDMUVBL-UHFFFAOYSA-N ChemAxon polar_surface_area 76.56 ChemAxon refractivity 103.02 ChemAxon polarizability 35.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7244331a40> DB11426 60651 54663