1.02011-09-21 00:18:59 UTC2015-10-09 22:31:19 UTCFDB022746LevofloxacinLevofloxacin is a synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. Levofloxacin is marketed by Ortho-McNeil under the trade name Levaquin. Chemically, levofloxacin is the S-enantiomer (L-isomer) of ofloxacin. -- Wikipedia [HMDB](-)-Ofloxacin(3S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylate(3S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid(S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzooxazine-6-carboxylate(S)-(-)-9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzooxazine-6-carboxylic acid(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylate(S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid(S)-OfloxacinFloxinL-OfloxacinLevofloxacinLevofloxacin hydrateLevofloxacineLevofloxacinoLevofloxacinumOfloxacinOfloxacin S-(-)-formQuixinC18H20FN3O4361.3675361.143784348(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid100986-85-4C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1GSDSWSVVBLHKDQ-JTQLQIEISA-N belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.Quinoline carboxylic acidsOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesQuinoline carboxylic acidsAromatic heteropolycyclic compoundsAlkyl aryl ethersAmino acidsAminoquinolines and derivativesAryl fluoridesAzacyclic compoundsBenzenoidsBenzoxazinesCarboxylic acidsDialkylarylaminesFluoroquinolonesHaloquinolinesHeteroaromatic compoundsHydrocarbon derivativesHydroquinolinesHydroquinolonesMonocarboxylic acids and derivativesN-arylpiperazinesN-methylpiperazinesOrganic oxidesOrganofluoridesOrganopnictogen compoundsOxacyclic compoundsPyridinecarboxylic acidsTrialkylaminesVinylogous amides1,4-diazinaneAlkyl aryl etherAmineAmino acidAmino acid or derivativesAminoquinolineAromatic heteropolycyclic compoundAryl fluorideAryl halideAzacycleBenzenoidBenzoxazineCarboxylic acidCarboxylic acid derivativeDialkylarylamineDihydroquinolineDihydroquinoloneEtherFluoroquinoloneHaloquinolineHeteroaromatic compoundHydrocarbon derivativeMonocarboxylic acid or derivativesN-alkylpiperazineN-arylpiperazineN-methylpiperazineOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganofluorideOrganohalogen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOxacyclePiperazinePyridinePyridine carboxylic acidPyridine carboxylic acid or derivativesQuinoline-3-carboxylic acidTertiary aliphatic amineTertiary aliphatic/aromatic amineTertiary amineVinylogous amidefluoroquinolone antibioticofloxacinquinolone antibioticSolidlogp-0.02logs-2.40solubility1.44e+00 g/llogp0.65pka_strongest_acidic5.45pka_strongest_basic6.2iupac(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acidaverage_mass361.3675mono_mass361.143784348smilesC[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1formulaC18H20FN3O4inchiInChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1inchikeyGSDSWSVVBLHKDQ-JTQLQIEISA-Npolar_surface_area73.32refractivity94.94polarizability36.69rotatable_bond_count2acceptor_count7donor_count1physiological_charge-1formal_charge0Specdb::NmrTwoD1748Specdb::NmrOneD1808Specdb::NmrOneD148660Specdb::NmrOneD148661Specdb::NmrOneD148662Specdb::NmrOneD148663Specdb::NmrOneD148664Specdb::NmrOneD148665Specdb::NmrOneD148666Specdb::NmrOneD148667Specdb::NmrOneD148668Specdb::NmrOneD148669Specdb::NmrOneD148670Specdb::NmrOneD148671Specdb::NmrOneD148672Specdb::NmrOneD148673Specdb::NmrOneD148674Specdb::NmrOneD148675Specdb::NmrOneD148676Specdb::NmrOneD148677Specdb::NmrOneD148678Specdb::NmrOneD148679Specdb::CMs13175Specdb::CMs38188Specdb::CMs168879Specdb::MsMs1866Specdb::MsMs1867Specdb::MsMs1868Specdb::MsMs250026Specdb::MsMs250027Specdb::MsMs250028Specdb::MsMs269964Specdb::MsMs269965Specdb::MsMs269966Specdb::MsMs443993Specdb::MsMs443994Specdb::MsMs443995Specdb::MsMs443996Specdb::MsMs443997Specdb::MsMs451030Specdb::MsMs451309Specdb::MsMs2237425Specdb::MsMs2239510Specdb::MsMs2248476Specdb::MsMs2249923Specdb::MsMs2757534Specdb::MsMs2757535Specdb::MsMs2757536Specdb::MsMs2947929Specdb::MsMs2947930HMDB01929LFX#<Reference:0x000055567631e8c8>#<Reference:0x000055567631e6c0>#<Reference:0x000055567631e3a0>#<Reference:0x000055567631e170>bitterDNA topoisomerase 2-alphaP11388TOP2A