fenbuconazole

Synonyms: "fenbuconazol", "fenethanil", "4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile"

Source: fenbuconazole is a systemic fungicide belonging to the triazole group.

Identifiers:

IUPAC Name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
CAS Number: 114369-43-6
PubChem ID: 86138
InChiKey: RQDJADAKIFFEKQ-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N

Structural Properties:

Molecular Formula: C19H17ClN4
Molecular Weight: 336.818

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 24

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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Hurley PM, Hill RN, Whiting RJ. 1998. Mode of carcinogenic action of pesticides inducing thyroid follicular cell tumors in rodents [review]. Environ Health Perspect 106(8):437-445.

Lemaire G, Mnif W, Pascussi JM, Pillon A, Rabenoelina F, Fenet H, Gomez E, Casellas C, Nicolas JC, Cavailles V, Duchesne MJ, Balaguer P. 2006. Identification of new human pregnane X receptor ligands among pesticides using a stable reporter cell system. Toxicol Sci 91(2):501-509.

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