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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:arasertaconazole
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Accession:CHEBI:83685 term browser browse the term
Definition:A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the active R-enantiomer of sertaconazole and is used (as its nitrate salt) for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug.
Synonyms:exact_synonym: 1-[(2R)-2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
 related_synonym: (R)-sertaconazole;   Formula=C20H15Cl3N2OS;   InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1;   InChIKey=JLGKQTAYUIMGRK-IBGZPJMESA-N;   SMILES=Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1;   arasertaconazol;   arasertaconazolum
 xref: CAS:583057-48-1;   Patent:EP2436374;   Patent:WO2012041966;   Reaxys:11333066
 cyclic_relationship: is_conjugate_base_of CHEBI:83699;   is_enantiomer_of CHEBI:83684


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Path 1
Term Annotations click to browse term
  CHEBI ontology 242
    role 242
      application 196
        anti-inflammatory agent 30
          anti-inflammatory drug 20
            non-steroidal anti-inflammatory drug 10
              arasertaconazole 0
                sertaconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 242
    subatomic particle 242
      composite particle 242
        hadron 242
          baryon 242
            nucleon 242
              atomic nucleus 242
                atom 242
                  main group element atom 235
                    p-block element atom 235
                      carbon group element atom 223
                        carbon atom 222
                          organic molecular entity 222
                            organic molecule 217
                              organic cyclic compound 201
                                organic heterocyclic compound 162
                                  heteroarene 41
                                    monocyclic heteroarene 13
                                      azole 13
                                        diazole 12
                                          imidazoles 8
                                            imidazole antifungal agent 6
                                              imidazole antifungal drug 4
                                                arasertaconazole 0
                                                  sertaconazole 0
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