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- W2575644638 abstract "Pharmaceuticals often prescribed in relatively high doses and a fraction of it has the potential to make its way into the environment where it can have a major impact on ecosystem. Although the human metabolites of these pharmaceuticals are well characterized, the identification and structural elucidation of metabolites formed in the environment presents a significant analytical challenge. In this present work the environmental transformation of a multichannel-blocking antiarrhythmic drug, dronedarone and its major transformation products have been studied. One of the predominant transformation products has been identified as N-Butyl-N-(3(4-(2-butyl-5-(methylsulfonamido) benzofuran-3-carbonyl)phenoxy) propyl) butan-1-amine Oxide, using Liquid Chromatography High Resolution Mass Spectrometry and density functional theory calculations. Tandem mass spectrometry was exploited to confirm the proposed structure through the fragmentation patterns and neutral losses observed. Density functional theory with B3LYP functional and 6-31G* basis sets in Gaussian has been used to determine the most preferred oxidation site for this molecule." @default.
- W2575644638 created "2017-01-26" @default.
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- W2575644638 date "2015-01-01" @default.
- W2575644638 modified "2023-09-27" @default.
- W2575644638 title "Rapid Identification of Environmental Transformation Products of Dronedarone Using High Resolution Mass Spectrometry and Density Functional Theory" @default.
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