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CHEBI:32248 - tosufloxacin tosylate hydrate

Default Structure
ChEBI IDCHEBI:32248
ChEBI Nametosufloxacin tosylate hydrate
Stars
DefinitionA racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate hydrate.
Last Modified6 March 2014
DownloadsMolfile
FormulaC19H15F3N4O3.C7H8O3S.H2O
Net Charge0
Average Mass594.568
Monoisotopic Mass594.13960
SMILESCc1ccc(S(=O)(=O)O)cc1.NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1.O
InChIInChI=1S/C19H15F3N4O3.C7H8O3S.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10);1H2
InChIKeySSULTCPIIYRGFQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
topoisomerase IV inhibitor  A topoisomerase inhibitor that inhibits DNA topoisomerase IV, which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands.
DNA synthesis inhibitor  Any substance that inhibits the synthesis of DNA.
hepatotoxic agent  A role played by a chemical compound exhibiting itself through the ability to induce damage to the liver in animals.
Application:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
tosufloxacin tosylate hydrate (CHEBI:32248) has part (R)-tosufloxacin tosylate hydrate (CHEBI:77604)
tosufloxacin tosylate hydrate (CHEBI:32248) has part (S)-tosufloxacin tosylate hydrate (CHEBI:77599)
tosufloxacin tosylate hydrate (CHEBI:32248) has part tosufloxacin tosylate (CHEBI:77605)
tosufloxacin tosylate hydrate (CHEBI:32248) has role antiinfective agent (CHEBI:35441)
tosufloxacin tosylate hydrate (CHEBI:32248) has role antimicrobial agent (CHEBI:33281)
tosufloxacin tosylate hydrate (CHEBI:32248) has role DNA synthesis inhibitor (CHEBI:59517)
tosufloxacin tosylate hydrate (CHEBI:32248) has role hepatotoxic agent (CHEBI:50908)
tosufloxacin tosylate hydrate (CHEBI:32248) has role topoisomerase IV inhibitor (CHEBI:53559)
tosufloxacin tosylate hydrate (CHEBI:32248) is a racemate (CHEBI:60911)
IUPAC Names 
rac-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium 4-methylbenzenesulfonate—water (1/1)
rac-7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate—water (1/1)
Synonyms  Source
rac-tosufloxacin tosylate hydrateChEBI
(RS)-tosufloxacin tosylate hydrateChEBI
racemic tosufloxacin tosylate hydrateChEBI
tosufloxacin monotosylate monohydrateChEBI
(±)-tosufloxacin tosylate hydrateChEBI
Tosufloxacin tosylate monohydrateChemIDplus
Brand Name  Source
OzexKEGG DRUG
Manual XrefsDatabases
D01996KEGG DRUG
TosufloxacinWikipedia
Registry NumbersSources
CAS:1400591-39-0ChemIDplus