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CHEBI:77606 - (S)-tosufloxacin tosylate

ChEBI IDCHEBI:77606
ChEBI Name(S)-tosufloxacin tosylate
Stars
ASCII Name(S)-tosufloxacin tosylate
DefinitionAn organosulfonate salt obtained by combining equimolar amounts of (S)-tosufloxacin and 4-toluenesulfonic acid.
Last Modified6 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H15F3N4O3.C7H8O3S
Net Charge0
Average Mass576.553
Monoisotopic Mass576.12904
SMILESCc1ccc(S(=O)(=O)O)cc1.N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
InChIInChI=1S/C19H15F3N4O3.C7H8O3S/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)/t10-;/m0./s1
InChIKeyCSSQVOKOWWIUCX-PPHPATTJSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-tosufloxacin tosylate (CHEBI:77606) has part (S)-tosufloxacin(1+) (CHEBI:77594)
(S)-tosufloxacin tosylate (CHEBI:77606) is a organosulfonate salt (CHEBI:64382)
(S)-tosufloxacin tosylate (CHEBI:77606) is enantiomer of (R)-tosufloxacin tosylate (CHEBI:77607)
Incoming Relation(s)
(S)-tosufloxacin tosylate hydrate (CHEBI:77599) has part (S)-tosufloxacin tosylate (CHEBI:77606)
tosufloxacin tosylate (CHEBI:77605) has part (S)-tosufloxacin tosylate (CHEBI:77606)
(R)-tosufloxacin tosylate (CHEBI:77607) is enantiomer of (S)-tosufloxacin tosylate (CHEBI:77606)
IUPAC Names 
7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate
(3S)-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium 4-methylbenzenesulfonate
Synonym  Source
(S)-tosufloxacin monotosylateChEBI