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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:bendroflumethiazide
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Accession:CHEBI:3013 term browser browse the term
Definition:A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group.
Synonyms:related_synonym: +--3-benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;   6-trifluoromethyl-3-benzyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide;   Formula=C15H14F3N3O4S2;   InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23);   InChIKey=HDWIHXWEUNVBIY-UHFFFAOYSA-N;   SMILES=NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F;   bendrofluazide;   bendroflumethiazidum;   bendroflumetiazida;   benzhydroflumethiazide
 alt_id: CHEBI:615239
 xref: Beilstein:373316;   CAS:73-48-3;   DrugBank:DB00436;   Drug_Central:305;   KEGG:C07758;   KEGG:D00650;   LINCS:LSM-1816
 xref_mesh: MESH:D001539
 xref: PMID:19056282;   Patent:GB863474;   Patent:US3392168;   Reaxys:373316;   Wikipedia:Bendroflumethiazide


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Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      application 869
        pharmaceutical 719
          drug 719
            diuretic 7
              bendroflumethiazide 0
                (R)-bendroflumethiazide 0
                (S)-bendroflumethiazide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      chalcogen 4928
                        oxygen atom 4896
                          oxygen molecular entity 4896
                            hydroxides 4848
                              oxoacid 406
                                chalcogen oxoacid 79
                                  sulfur oxoacid 63
                                    sulfonic acid 32
                                      sulfonic acid derivative 32
                                        sulfonamide 10
                                          bendroflumethiazide 0
                                            (R)-bendroflumethiazide 0
                                            (S)-bendroflumethiazide 0
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