bromuconazole (CHEBI:81900)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	bromuconazole

ChEBI ID	CHEBI:81900

Definition	A member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4. A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C13H12BrCl2N3O

Net Charge

Average Mass

377.064

Monoisotopic Mass

374.95408

InChI

InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2

InChIKey

HJJVPARKXDDIQD-UHFFFAOYSA-N

SMILES

N1(N=CN=C1)CC2(CC(CO2)Br)C=3C(=CC(=CC3)Cl)Cl

Roles Classification
Biological Role(s):	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. 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). 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 )

ChEBI Ontology
Outgoing	bromuconazole (CHEBI:81900) has role antifungal agrochemical (CHEBI:86328) bromuconazole (CHEBI:81900) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) bromuconazole (CHEBI:81900) is a conazole fungicide (CHEBI:87067) bromuconazole (CHEBI:81900) is a dichlorobenzene (CHEBI:23697) bromuconazole (CHEBI:81900) is a organobromine compound (CHEBI:37141) bromuconazole (CHEBI:81900) is a oxolanes (CHEBI:26912) bromuconazole (CHEBI:81900) is a triazole fungicide (CHEBI:87100) bromuconazole (CHEBI:81900) is a triazoles (CHEBI:35727)

IUPAC Name

2,5-anhydro-4-bromo-1,3,4-trideoxy-2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)pentitol

Synonym	Source
1-((4-Bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole	ChemIDplus

Last Modified

22 September 2016