1.0 2010-04-08 22:14:10 UTC 2018-05-29 01:40:34 UTC FDB019139 Sarafloxacin It is used for control of Campylobacter infections in poultry 6-Fluoro-1-(4-fluorophenyl)-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid, 9CI A 57135 Difloxacine Difloxacino Difloxacinum Quinolone der. Saraflox Sarafloxacin [inn:ban] Sarafloxacin hydrochloride Sarafloxacin hydrochloride trihydrate Sarafloxacine Sarafloxacino Sarafloxacinum C20H17F2N3O3 385.3641 385.123797835 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid sarafloxacin 98105-99-8 OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28) XBHBWNFJWIASRO-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. Phenylquinolines Organic compounds Organoheterocyclic compounds Quinolines and derivatives Phenylquinolines Aromatic heteropolycyclic compounds Amino acids Aminoquinolines and derivatives Aryl fluorides Azacyclic compounds Carboxylic acids Dialkylamines Dialkylarylamines Fluorobenzenes Fluoroquinolones Haloquinolines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Monocarboxylic acids and derivatives N-arylpiperazines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Quinoline carboxylic acids 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 Fluorobenzene Fluoroquinolone Halobenzene Haloquinoline Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety N-arylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylquinoline Piperazine Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline-3-carboxylic acid Secondary aliphatic amine Secondary amine Tertiary aliphatic/aromatic amine Tertiary amine Vinylogous amide logp 0.29 ALOGPS logs -3.56 ALOGPS solubility 1.05e-01 g/l ALOGPS logp 0.56 ChemAxon pka_strongest_acidic 5.74 ChemAxon pka_strongest_basic 8.68 ChemAxon iupac 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid ChemAxon average_mass 385.3641 ChemAxon mono_mass 385.123797835 ChemAxon smiles OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O ChemAxon formula C20H17F2N3O3 ChemAxon inchi InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28) ChemAxon inchikey XBHBWNFJWIASRO-UHFFFAOYSA-N ChemAxon polar_surface_area 72.88 ChemAxon refractivity 99.9 ChemAxon polarizability 37.15 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22272 Specdb::CMs 46449 Specdb::CMs 170166 Specdb::MsMs 44883 Specdb::MsMs 44884 Specdb::MsMs 44885 Specdb::MsMs 116667 Specdb::MsMs 116668 Specdb::MsMs 116669 Specdb::MsMs 440781 Specdb::MsMs 440782 Specdb::MsMs 440783 Specdb::MsMs 444491 Specdb::MsMs 444492 Specdb::MsMs 444493 Specdb::MsMs 444494 Specdb::MsMs 444495 Specdb::MsMs 444496 Specdb::MsMs 444497 Specdb::MsMs 444498 Specdb::MsMs 444499 Specdb::MsMs 2244807 Specdb::MsMs 2245292 Specdb::MsMs 2246946 Specdb::MsMs 2247361 Specdb::MsMs 2248510 Specdb::MsMs 2249050 Specdb::MsMs 2249322 HMDB39526 #<Reference:0x000055ce324c5a08> #<Reference:0x000055ce324c5850>