Metformin, an Anthropogenic Contaminant of Seidlitzia
Metformin, an Anthropogenic Contaminant of Seidlitzia rosmarinus Collected in a Desert Region Near the Gulf of Aqaba, Sinai Peninsula Ahmed R. Hassan,†, ║ Salah M. El-kousy,‡ Sayed A. El-Toumy,§ Karla † † ┴ *,† Frydenvang, Truong Thanh Tung, Jesper Olsen, John Nielsen, and Søren Brøgger Christensen*,† †Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark ‡Chemistry of Tannins Department, National Research Centre, Dokki 12622, Cairo, Egypt §Chemistry Department, Menoufia University, Shebin El-Kom 32861, EL- Menoufia, Egypt ┴ Department of Physics and Astronomy, Aarhus University, DK-8000, Aarhus C, Denmark ║Medicinal and Aromatic Plants Department, Desert Research Center, El-Matariya 11753, Cairo, Egypt Supplementary Information List of contents: Page Data for Metformin Acetate (4) S 3 Data for 2-Chloro-N-Z-feruloyltyramine (6Z) and 2-Chloro-N-E-feruloyltyramine (6E) S 6 Crystal Data, Data Collection and Refinement Data for Metformin Acetate S 9 S 1 Seidlitzia rosmarinus S 11 References S 11 S 2 Metformin Acetate: 1 1 Colorless crystals, m.p. 218.9-221.7°C (ref. 219 °C ). H NMR (600 MHz, D2O) 13 metformin moiety: δ 3.06 (6H, s, 2CH3); acetate moiety: δ 1.92 (3H, s, CH3). C NMR (150 MHz, D2O) metformin moiety: δ 37.4 (2CH3), 160.1 (C-2), 158.4 (C-4); acetate + + moiety: δ 23.3 (CH3), 181.4 (C=O). HRMS m/z 259.2102 [2M+H] (calcd for C8H23N10 259.2102). 1 Figure S1. H NMR spectrum (600 MHz, D2O) of Metformin acetate 13 Figure S2. C NMR spectrum (150 MHz, D2O) of Metformin acetate S 3 Figure S3.
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