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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:neticonazole hydrochloride
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Accession:CHEBI:31900 term browser browse the term
Definition:A hydrochloride resulting from the formal reaction of equimolar amounts of neticonazole and hydrogen chloride. An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan as an antifungal drug for the treatment of superficial skin infections.
Synonyms:exact_synonym: 1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium chloride;   1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole hydrochloride
 related_synonym: 1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium chloride;   1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole hydrochloride;   Formula=C17H23ClN2OS;   InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;;   InChIKey=HAHMABKERDVYCH-ZUQRMPMESA-N;   SMILES=C(=C\\SC)(\\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2.Cl
 xref: CAS:130773-02-3;   Drug_Central:1902;   KEGG:D01620;   PMID:11516941;   PMID:19942790;   PMID:8734665;   PMID:9330830;   Reaxys:5366849


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        pharmaceutical 0
          drug 0
            antifungal drug 0
              neticonazole hydrochloride 0
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  CHEBI ontology 0
    subatomic particle 0
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        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
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                                  heteroarene 0
                                    monocyclic heteroarene 0
                                      azole 0
                                        diazole 0
                                          imidazoles 0
                                            imidazole antifungal agent 0
                                              imidazole antifungal drug 0
                                                neticonazole hydrochloride 0
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