Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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 A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.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



show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    role 19869
      biological role 19867
        antimicrobial agent 18275
          trovafloxacin mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      chalcogen 19587
                        oxygen atom 19559
                          oxygen molecular entity 19559
                            hydroxides 19370
                              oxoacid 18810
                                chalcogen oxoacid 13813
                                  sulfur oxoacid 13605
                                    sulfonic acid 11632
                                      sulfo group 9964
                                        organosulfonic acid 9964
                                          alkanesulfonic acid 4012
                                            methanesulfonic acid 4002
                                              methanesulfonates 3999
                                                methanesulfonate salt 2
                                                  trovafloxacin mesylate 0
paths to the root