Metalaxyl-13C6

• CAT Number: R050037
• CAS Number: 1356199-69-3
• Molecular Formula: C₉¹³C₆H₂₁NO₄
• Molecular Weight: 285.29
• Purity: ≥95%
• Synonyms: N-(2,6-Dimethylphenyl-13C6)-N-(2-methoxyacetyl)alanine Methyl Ester; (+/-)-Metalaxyl-13C6; Allegiance-13C6; Apron-13C6; Metanaxin-13C6; Metasyl-13C6; Metaxanine-13C6; Methyl N-Methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate-13C6; Ridomil-13C6
• Storage: Store at -20°C
• IUPAC Name: methyl 2-[(2,6-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-methoxyacetyl)amino]propanoate
• InChI: InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/i6+1,7+1,8+1,10+1,11+1,14+1
• InChIKey: ZQEIXNIJLIKNTD-HEYPXIGASA-N
• SMILES: C[13C]1=[13C]([13C](=[13CH][13CH]=[13CH]1)C)N(C(C)C(=O)OC)C(=O)COC

Metalaxyl-13C6 is a deuterated form of metalaxyl, a systemic fungicide used in agriculture to control a range of fungal diseases. In this compound, six carbon atoms are replaced with the isotope 13C. It is employed as an internal standard in mass spectrometry and NMR spectroscopy, providing high precision in quantification and structural analysis. In environmental and agricultural chemistry, it helps in the study of metalaxyl’s behavior, degradation, and residue analysis. Its 13C labeling enhances accuracy in monitoring and evaluating the efficacy and environmental impact of the fungicide.