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CHEBI:46081 - fluconazole
| Formula | C13H12F2N6O |
| Net Charge | 0 |
| Average Mass | 306.276 |
| Monoisotopic Mass | 306.10407 |
| SMILES | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fluconazole (CHEBI:46081) has functional parent 1,3-difluorobenzene (CHEBI:38584) |
| fluconazole (CHEBI:46081) has parent hydride 1H-1,2,4-triazole (CHEBI:35550) |
| fluconazole (CHEBI:46081) has role environmental contaminant (CHEBI:78298) |
| fluconazole (CHEBI:46081) has role P450 inhibitor (CHEBI:50183) |
| fluconazole (CHEBI:46081) has role xenobiotic (CHEBI:35703) |
| fluconazole (CHEBI:46081) is a conazole antifungal drug (CHEBI:87071) |
| fluconazole (CHEBI:46081) is a difluorobenzene (CHEBI:38582) |
| fluconazole (CHEBI:46081) is a tertiary alcohol (CHEBI:26878) |
| fluconazole (CHEBI:46081) is a triazole antifungal drug (CHEBI:87101) |
| Incoming Relation(s) |
| Fosfluconazole (CHEBI:31634) has functional parent fluconazole (CHEBI:46081) |
| IUPAC Name |
|---|
| 2-(2,4-difluorophenyl)-1,3-bis-(1H-1,2,4-triazol-1-yl)propan-2-ol |
| INNs | Source |
|---|---|
| fluconazole | ChemIDplus |
| fluconazol | ChemIDplus |
| fluconazolum | ChemIDplus |
| fluconazole | WHO MedNet |
| Synonyms | Source |
|---|---|
| Elazor | ChemIDplus |
| 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL | PDBeChem |
| 2,4-difluoro-α,α-bis(1H-1,2,4-triazol-1-ylmethyl)benzyl alcohol | ChemIDplus |
| Brand Names | Source |
|---|---|
| Biozole | ChEBI |
| Triflucan | ChEBI |
| Diflucan | ChEBI |
| UniProt Name | Source |
|---|---|
| fluconazole | UniProt |
| Manual Xrefs | Databases |
|---|---|
| TPF | PDBeChem |
| D00322 | KEGG DRUG |
| Fluconazole | Wikipedia |
| DB00196 | DrugBank |
| GB2099818 | Patent |
| US4404216 | Patent |
| HMDB0014342 | HMDB |
| LSM-2106 | LINCS |
| 1187 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4269710 | Beilstein |
| Reaxys:7311650 | Reaxys |
| CAS:86386-73-4 | ChemIDplus |
| Citations |
|---|