Metalaxyl

Synonyms: Ridomil, "Allegiance", "Metanaxin", "Metasyl", "Apron", "Jiashuangling", "Metaxanin", "Metalaxil", "Subdue", "Ridomil Vino", "Apron FL", "Ridomil 72WP", "Apron SD 35", "IPO-FS", "Ridomil 2E", "Subdue 2E", "Subdue 5SP", "Apron 2E", "(+-)-Metalaxyl", "Caswell No. 375AA", "Methyl 2-(N-(2,6-dimethylphenyl)-2-methoxyacetamido)propanoate", "CG 117", "Metalaxyl [ANSI:BSI:ISO]", "(+/-)-Metalaxyl", "Methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-DL-alaninate"

Source: Metalaxyl is a widely used fungicide around the world.

Identifiers:

IUPAC Name: methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CAS Number: 57837-19-1
PubChem ID: 42586
InChiKey: ZQEIXNIJLIKNTD-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC

Structural Properties:

Molecular Formula: C₁₅H₂₁NO₄
Molecular Weight: 279,330

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 20

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Evidence Supporting This Chemical as an Emerging Contaminant

Meffe, R., & de Bustamante, I. (2014). Emerging organic contaminants in surface water and groundwater: a first overview of the situation in Italy. Science of the Total Environment, 481, 280-295.

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