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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:tosufloxacin tosylate
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Accession:CHEBI:77605 term browser browse the term
Definition:A racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate.
Synonyms:exact_synonym: 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;   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
 related_synonym: (RS)-tosufloxacin tosylate;   A-61827;   Formula=C26H23F3N4O6S;   InChI=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);   InChIKey=CSSQVOKOWWIUCX-UHFFFAOYSA-N;   SMILES=Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F;   Tosufloxacin tosilate;   rac-tosufloxacin tosylate;   racemic tosufloxacin tosylate;   tosufloxacin monotosylate
 xref: CAS:100490-94-6;   CAS:115964-29-9;   Reaxys:7617816



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Term Annotations click to browse term
  CHEBI ontology 19879
    role 19850
      biological role 19848
        antimicrobial agent 18257
          tosufloxacin tosylate 0
            tosufloxacin tosylate hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    main group molecular entity 19816
                      s-block molecular entity 19651
                        hydrogen molecular entity 19633
                          hydrides 19147
                            inorganic hydride 18160
                              pnictogen hydride 18150
                                nitrogen hydride 18063
                                  ammonium 8309
                                    ammonium ion derivative 8304
                                      1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium 0
                                        (S)-tosufloxacin(1+) 0
                                          tosufloxacin(1+) 0
                                            tosufloxacin tosylate 0
                                              tosufloxacin tosylate hydrate 0
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