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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:trovafloxacin mesylate
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Accession:CHEBI:77568 term browser browse the term
Definition:A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.
Synonyms:exact_synonym: (1R,5S,6s)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-aminium methanesulfonate;   7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid methanesulfonate
 related_synonym: Formula=C21H19F3N4O6S;   InChI=1S/C20H15F3N4O3.CH4O3S/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24;1-5(2,3)4/h1-4,7,10-11,16H,5-6,24H2,(H,29,30);1H3,(H,2,3,4)/t10-,11+,16+;;   InChIKey=DYNZICQDCVYXFW-AHZSKCOESA-N;   SMILES=CS(O)(=O)=O.N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F;   Trovafloxacin monomethanesulfonate;   Trovan;   trovafloxacin methanesulfonate;   trovafloxacin monomesylate
 xref: CAS:147059-75-4;   DrugBank:DB00685;   KEGG:D02123;   PMID:11684402;   PMID:14718297;   PMID:23986008;   PMID:9222073;   Patent:EP0930068;   Patent:NZ553119;   Reaxys:8180672;   Wikipedia:Trovafloxacin


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Term Annotations click to browse term
  CHEBI ontology 19911
    role 19854
      biological role 19852
        antimicrobial agent 18266
          trovafloxacin mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      chalcogen 19598
                        oxygen atom 19570
                          oxygen molecular entity 19570
                            hydroxides 19374
                              oxoacid 18808
                                chalcogen oxoacid 13794
                                  sulfur oxoacid 13562
                                    sulfonic acid 11632
                                      sulfo group 9957
                                        organosulfonic acid 9957
                                          alkanesulfonic acid 4009
                                            methanesulfonic acid 3999
                                              methanesulfonates 3996
                                                methanesulfonate salt 2
                                                  trovafloxacin mesylate 0
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