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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:butoconazole nitrate
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Accession:CHEBI:3241 term browser browse the term
Definition:An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans.
Synonyms:exact_synonym: 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate
 related_synonym: (+-)-1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrate;   (+-)-1-(4-(p-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)imidazole mononitrate;   Formula=C19H18Cl3N3O3S;   InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4);   InChIKey=ZHPWRQIPPNZNML-UHFFFAOYSA-N;   SMILES=O[N+]([O-])=O.Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1;   nitrato de butoconazol
 xref: Beilstein:6366645;   CAS:64872-77-1;   DrugBank:DB00639;   KEGG:C08066;   KEGG:D00880



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20057
    chemical entity 20068
      molecular entity 20056
        ion 16515
          cation 16311
            butoconazole(1+) 0
              butoconazole nitrate 0
                (R)-butoconazole nitrate 0
                (S)-butoconazole nitrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20057
    subatomic particle 20056
      composite particle 20068
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19971
                    p-block element atom 19971
                      carbon group element atom 19889
                        carbon atom 19894
                          organic molecular entity 19882
                            organic molecule 19830
                              organic cyclic compound 19603
                                organic heterocyclic compound 18888
                                  heteroarene 16612
                                    monocyclic heteroarene 13619
                                      azole 12840
                                        diazole 8631
                                          imidazoles 7723
                                            imidazole antifungal agent 1304
                                              imidazole antifungal drug 827
                                                butoconazole nitrate 0
                                                  (R)-butoconazole nitrate 0
                                                  (S)-butoconazole nitrate 0
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