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CHEBI:32248 - tosufloxacin tosylate hydrate

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.
DNA synthesis inhibitor  Any substance that inhibits the synthesis of DNA.
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.
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-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)
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)
Synonyms  Source
Tosufloxacin tosylate monohydrateChemIDplus
tosufloxacin monotosylate monohydrateChEBI
rac-tosufloxacin tosylate hydrateChEBI
(±)-tosufloxacin tosylate hydrateChEBI
(RS)-tosufloxacin tosylate hydrateChEBI
racemic tosufloxacin tosylate hydrateChEBI
Brand Name  Source
OzexKEGG DRUG
Manual XrefsDatabases
D01996KEGG DRUG
TosufloxacinWikipedia
Registry NumbersSources
CAS:1400591-39-0ChemIDplus