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ONTOLOGY REPORT - ANNOTATIONS


Term:(R)-tosufloxacin tosylate hydrate
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Accession:CHEBI:77604 term browser browse the term
Definition:A hydrate that is the monohydrate form of (S)-tosufloxacin tosylate.
Synonyms:exact_synonym: (3R)-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);   7-[(3R)-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)
 related_synonym: (R)-tosufloxacin monotosylate monohydrate;   Formula=C26H25F3N4O7S;   InChI=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/t10-;;/m1../s1;   InChIKey=SSULTCPIIYRGFQ-YQFADDPSSA-N;   SMILES=O.Cc1ccc(cc1)S([O-])(=O)=O.[NH3+][C@@H]1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
 cyclic_relationship: is_enantiomer_of CHEBI:77599


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Term Annotations click to browse term
  CHEBI ontology 19758
    role 19705
      chemical role 19224
        greenhouse gas 9941
          water 620
            hydrate 596
              (R)-tosufloxacin tosylate hydrate 0
                tosufloxacin tosylate hydrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    main group molecular entity 19641
                      s-block molecular entity 19403
                        hydrogen molecular entity 19392
                          hydrides 18362
                            inorganic hydride 17222
                              pnictogen hydride 17186
                                nitrogen hydride 17020
                                  ammonium 8227
                                    ammonium ion derivative 8222
                                      1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium 0
                                        (R)-tosufloxacin(1+) 0
                                          (R)-tosufloxacin tosylate 0
                                            (R)-tosufloxacin tosylate hydrate 0
                                              tosufloxacin tosylate hydrate 0
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