CHEBI:81766 - hexaconazole

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ChEBI Name hexaconazole
ChEBI ID CHEBI:81766
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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H17Cl2N3O
Net Charge 0
Average Mass 314.21000
Monoisotopic Mass 313.07487
Roles Classification
Chemical Role(s): chelator
A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Biological Role(s): 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 14alpha-demethylase).
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via triazole fungicide )
(via conazole fungicide )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via triazole antifungal agent )
(via conazole antifungal agent )
ergosterol biosynthesis inhibitor
Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.
(via conazole antifungal agent )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via triazole fungicide )
(via conazole fungicide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(±)-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
(±)-hexaconazole NIST Chemistry WebBook
(RS)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol Alan Wood's Pesticides
PP 523 NIST Chemistry WebBook
rac-(2R)-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol Alan Wood's Pesticides
rac-α-butyl-α-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol Alan Wood's Pesticides
rac-hexaconazole ChEBI
Brand Names Sources
Chlortriafol ChemIDplus
Contaf ChemIDplus
Hexastar ChEBI
Sitara ChemIDplus
Manual Xrefs Databases
C18466 KEGG COMPOUND
hexaconazole Alan Wood's Pesticides
Hexaconazole Wikipedia
View more database links
Registry Numbers Types Sources
79983-71-4 CAS Registry Number ChemIDplus
79983-71-4 CAS Registry Number Alan Wood's Pesticides
79983-71-4 CAS Registry Number NIST Chemistry WebBook
8155068 Reaxys Registry Number Reaxys
8328399 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10968606 PubMed citation Europe PMC
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Last Modified
23 July 2015