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Chemical Entities of Biological Interest Ontology
| Preferred Name | fluconazole | |
| Synonyms |
fluconazole fluconazolum 2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL Elazor Triflucan Biozole fluconazol Diflucan 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol |
|
| Definitions |
A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_46081 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:16822276 PMID:23171950 Drug_Central:1187 DrugBank:DB00196 Reaxys:7311650 Patent:US4404216 CAS:86386-73-4 Patent:GB2099818 KEGG:D00322 Beilstein:4269710 PMID:11366931 LINCS:LSM-2106 PMID:23793863 Wikipedia:Fluconazole PDBeChem:TPF HMDB:HMDB0014342
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|
| definition |
A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.
|
|
| formula |
C13H12F2N6O
|
|
| has functional parent | ||
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50183 |
|
| has_alternative_id |
CHEBI:5099 CHEBI:46079
|
|
| has_exact_synonym |
fluconazole 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
fluconazole fluconazolum 2,4-difluoro-alpha,alpha-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL Elazor Triflucan Biozole fluconazol Diflucan
|
|
| id |
CHEBI:46081
|
|
| in_subset | ||
| inchi |
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
|
|
| inchikey |
RFHAOTPXVQNOHP-UHFFFAOYSA-N
|
|
| label |
fluconazole
|
|
| mass |
306.27080
|
|
| monoisotopicmass |
306.10407
|
|
| notation |
CHEBI:46081
|
|
| prefLabel |
fluconazole
|
|
| smiles |
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38582 http://purl.obolibrary.org/obo/CHEBI_87101 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38582 http://purl.obolibrary.org/obo/CHEBI_87101 |
| Delete | Subject | Author | Type | Created |
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| No notes to display |