fipronil
Synonyms: "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile"
Source: fipronil is a broad-spectrum insecticide in the phenylpyrazole chemical family.
Identifiers:
IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
CAS Number: 120068-37-3
PubChem ID: 3352
InChiKey: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
Structural Properties:
Molecular Formula: C12H4Cl2F6N4OS
Molecular Weight: 437.148
Pharmacophore Features:
Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 26
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
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.