methylparaoxon

Synonyms: "paraoxon-methyl", "dimethyl paraoxon", "desmethylnitrophos", "phosphoric acid, dimethyl p-nitrophenyl ester", "dimethyl-p-nitrophenyl phosphate", "dimethyl-4-nitrophenyl phosphate", "dimethyl (4-nitrophenyl) phosphate", "dimethyl 4-nitrophenyl phosphate", "phosphoric acid, dimethyl 4-nitrophenyl ester".

Source: Methylparaoxon is the main metabolite of commonly used organophosphorus insecticide, methylparathion

Identifiers:

IUPAC Name: dimethyl (4-nitrophenyl) phosphate
CAS Number: 950-35-6
PubChem ID: 13708
InChiKey: BAFQDKPJKOLXFZ-UHFFFAOYSA-N
Canonical SMILES: COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₈H₁₀NO₆P
Molecular Weight: 247.143

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 16

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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 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. URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1241915/.