Mirex
Synonyms: Dechlorane, "Perchloropentacyclodecane", "Paramex", "Bichlorendo", "Perchlorodihomocubane", "Ferriamicide", "Dechlorane 4070", "Dodecachloropentacyclodecane", "Perchlordecone", "Dodecaclor", "HRS l276", "Hexachlorocyclopentadiene dimer", "Pentacyclodecane, dodecachloro-", "Fire Ant Bait", "Perchlorodecone"
Source: mirex is a bait insecticide used against a number of insect pests.
Identifiers:
IUPAC Name: 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane
CAS Number: 2385-85-5
PubChem ID: 16945
InChiKey: GVYLCNUFSHDAAW-UHFFFAOYSA-N
Canonical SMILES: C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl
Structural Properties:
Molecular Formula: C10Cl12
Molecular Weight: 545,500
Pharmacophore Features:
Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 22
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3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)
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Evidence Supporting This Chemical as an Emerging Contaminant
Pico, Y., Belenguer, V., Corcellas, C., D?az-Cruz, M. S., Eljarrat, E., Farr?, M., ... & Rodr?guez-Mozaz, S. (2019). Contaminants of emerging concern in freshwater fish from four Spanish Rivers. Science of The Total Environment, 659, 1186-1198.