fludioxonil (CHEBI:81763)

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ChEBI Name	fludioxonil

ChEBI ID	CHEBI:81763

Definition	A member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria.

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

Supplier Information	ChemicalBook:CB6450780, eMolecules:510886, ZINC000002381595

Download	Molfile XML SDF

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Formula

C12H6F2N2O2

Net Charge

Average Mass

248.185

Monoisotopic Mass

248.03973

InChI

InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H

InChIKey

MUJOIMFVNIBMKC-UHFFFAOYSA-N

SMILES

C1=CC=C2C(=C1C3=CNC=C3C#N)OC(O2)(F)F

Roles Classification
Biological Role(s):	androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. estrogen receptor agonist An agonist at the estrogen receptor. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

Application(s):	androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.

ChEBI Ontology
Outgoing	fludioxonil (CHEBI:81763) has role androgen antagonist (CHEBI:35497) fludioxonil (CHEBI:81763) has role antifungal agrochemical (CHEBI:86328) fludioxonil (CHEBI:81763) has role estrogen receptor agonist (CHEBI:63951) fludioxonil (CHEBI:81763) is a benzodioxoles (CHEBI:38298) fludioxonil (CHEBI:81763) is a nitrile (CHEBI:18379) fludioxonil (CHEBI:81763) is a organofluorine compound (CHEBI:37143) fludioxonil (CHEBI:81763) is a pyrroles (CHEBI:26455)

IUPAC Name

4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

Last Modified

15 July 2016

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag