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CHEBI:81766 - hexaconazole
| ChEBI ID | CHEBI:81766 |
| ChEBI Name | hexaconazole |
| Stars | |
| Definition | A racemate comprising equimolar amounts of (R)- and (S)-hexaconazole. An agricultural fungicide introduced in the 1980s, it is not approved for use within the European Union. |
| Last Modified | 23 July 2015 |
| Formula | C14H17Cl2N3O |
| Net Charge | 0 |
| Average Mass | 314.210 |
| Monoisotopic Mass | 313.07487 |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | chelator A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. |
| Biological Roles: | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14α-demethylase). antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. 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. fungicide A substance used to destroy fungal pests. 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 agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. fungicide A substance used to destroy fungal pests. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| hexaconazole (CHEBI:81766) has part (R)-hexaconazole (CHEBI:83712) |
| hexaconazole (CHEBI:81766) has part (S)-hexaconazole (CHEBI:83713) |
| hexaconazole (CHEBI:81766) has role antifungal agrochemical (CHEBI:86328) |
| hexaconazole (CHEBI:81766) has role chelator (CHEBI:38161) |
| hexaconazole (CHEBI:81766) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) |
| hexaconazole (CHEBI:81766) is a conazole fungicide (CHEBI:87067) |
| hexaconazole (CHEBI:81766) is a racemate (CHEBI:60911) |
| hexaconazole (CHEBI:81766) is a triazole fungicide (CHEBI:87100) |
| IUPAC Name |
|---|
| rac-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol |
| Synonyms | Source |
|---|---|
| rac-α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol | Alan Wood's Pesticides |
| (RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol | Alan Wood's Pesticides |
| rac-(2R)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol | Alan Wood's Pesticides |
| PP 523 | NIST Chemistry WebBook |
| (±)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol | ChEBI |
| (±)-α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol | ChEBI |
| Brand Names | Source |
|---|---|
| Chlortriafol | ChemIDplus |
| Sitara | ChemIDplus |
| Contaf | ChemIDplus |
| Hexastar | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C18466 | KEGG COMPOUND |
| hexaconazole | Alan Wood's Pesticides |
| Hexaconazole | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8155068 | Reaxys |
| Reaxys:8328399 | Reaxys |
| CAS:79983-71-4 | KEGG COMPOUND |
| CAS:79983-71-4 | Alan Wood's Pesticides |
| CAS:79983-71-4 | ChemIDplus |
| CAS:79983-71-4 | NIST Chemistry WebBook |
| Citations |
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