diuron

Synonyms: "3-(3,4-dichlorophenyl)-1,1-dimethylurea", "DCMU", "dichlorfenidim", "herbatox", "vonduron", "dailon", "karmex", "marmer"

Source: diuron is a substituted urea herbicide used to control a wide variety of annual and perennial broadleaf and grassy weeds.

Identifiers:

IUPAC Name: 3-(3,4-dichlorophenyl)-1,1-dimethylurea
CAS Number: 330-54-1
PubChem ID: 3120
InChiKey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Canonical SMILES: CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

Structural Properties:

Molecular Formula: C₉H₁₀Cl₂N₂O
Molecular Weight: 233.095

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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

Kojima H, Katsura E, Takeuchi S, Niiyama K, Kobayashi K. 2004. Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. Environ Health Perspect 112(5):524-531.

Orton F, Lutz I, Kloas W, Routledge EJ. 2009. Endocrine disrupting effects of herbicides and pentachlorophenol: in vitro and in vivo evidence. Environ Sci Technol 43(6):2144-2150.