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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:dofetilide
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Accession:CHEBI:4681 term browser browse the term
Definition:A tertiary amino compound that is N-ethyl-N-methylethanamine substituted by a 4-[(methylsulfonyl)amino]phenoxy and a 4-[(methylsulfonyl)amino]phenyl group at the terminal carbon atoms respectively. It is used as an anti-arrhythmia drug.
Synonyms:exact_synonym: N-(4-{2-[methyl(2-{4-[(methylsulfonyl)amino]phenoxy}ethyl)amino]ethyl}phenyl)methanesulfonamide
 related_synonym: Formula=C19H27N3O5S2;   InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3;   InChIKey=IXTMWRCNAAVVAI-UHFFFAOYSA-N;   SMILES=CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1;   Tikosyn;   beta-((p-Methanesulfonamidophenethyl)methylamino)methanesulfono-p-phenetidide;   dofetilida;   dofetilidum
 xref: CAS:115256-11-6;   DrugBank:DB00204;   Drug_Central:942;   KEGG:C07751;   KEGG:D00647;   LINCS:LSM-5925
 xref_mesh: MESH:C063533
 xref: PMID:11326815;   PMID:25620152;   PMID:25626340;   Patent:EP245997;   Patent:US4959366;   Reaxys:3572833;   Wikipedia:Dofetilide


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Term Annotations click to browse term
  CHEBI ontology 875
    role 855
      application 495
        pharmaceutical 436
          drug 436
            cardiovascular drug 71
              anti-arrhythmia drug 12
                dofetilide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 875
    subatomic particle 860
      composite particle 860
        hadron 860
          baryon 860
            nucleon 860
              atomic nucleus 860
                atom 860
                  main group element atom 850
                    p-block element atom 847
                      chalcogen 809
                        oxygen atom 756
                          oxygen molecular entity 756
                            hydroxides 681
                              oxoacid 311
                                chalcogen oxoacid 54
                                  sulfur oxoacid 45
                                    sulfonic acid 14
                                      sulfonic acid derivative 14
                                        sulfonamide 11
                                          dofetilide 0
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