fludioxonil

Synonyms: "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile", "4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile", "4-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)-1H-pyrrole-3-carbonitrile"

Source: fludioxonil is a non-systemic phenylpyrrole fungicide. It is applied to foliage, for protection of grape and vegetables from gray mold, and to grain for seed disinfection.

Identifiers:

IUPAC Name: 4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile
CAS Number: 131341-86-1
PubChem ID: 86398
InChiKey: MUJOIMFVNIBMKC-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N

Structural Properties:

Molecular Formula: C12H6F2N2O2
Molecular Weight: 248,185

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 18

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

CTD (Comparative Toxicogenomics Database)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Orton F, Rosivatz E, Scholze M, Kortenkamp A. 2011. Widely used pesticides with previously unknown endocrine activity revealed as in vitro antiandrogens. Environ Health Perspect 119(6):794-800.

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