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CHEBI:77586 - tosufloxacin(1+)

ChEBI IDCHEBI:77586
ChEBI Nametosufloxacin(1+)
Stars
DefinitionA racemate comprising equimolar amounts of (R)-tosufloxacin(1+) and (S)-tosufloxacin(1+).
Last Modified6 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H16F3N4O3
Net Charge+1
Average Mass405.356
Monoisotopic Mass405.11690
SMILES[NH3+]C1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
InChIInChI=1S/C19H15F3N4O3/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/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)/p+1
InChIKeyWUWFMDMBOJLQIV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
tosufloxacin(1+) (CHEBI:77586) has part (R)-tosufloxacin(1+) (CHEBI:77595)
tosufloxacin(1+) (CHEBI:77586) has part (S)-tosufloxacin(1+) (CHEBI:77594)
tosufloxacin(1+) (CHEBI:77586) is a racemate (CHEBI:60911)
tosufloxacin(1+) (CHEBI:77586) is conjugate acid of tosufloxacin (CHEBI:77573)
Incoming Relation(s)
tosufloxacin tosylate (CHEBI:77605) has part tosufloxacin(1+) (CHEBI:77586)
tosufloxacin (CHEBI:77573) is conjugate base of tosufloxacin(1+) (CHEBI:77586)
IUPAC Name 
rac-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium
Synonyms  Source
racemic tosufloxacin(1+)ChEBI
rac-tosufloxacin(1+)ChEBI
(±)-tosufloxacin(1+)ChEBI
(RS)-tosufloxacin(1+)ChEBI