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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 0
    role 0
      application 0
        anti-inflammatory agent 0
          anti-inflammatory drug 0
            non-steroidal anti-inflammatory drug 0
              arasertaconazole 0
                sertaconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  heteroarene 0
                                    monocyclic heteroarene 0
                                      azole 0
                                        diazole 0
                                          imidazoles 0
                                            imidazole antifungal agent 0
                                              imidazole antifungal drug 0
                                                arasertaconazole 0
                                                  sertaconazole 0
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