crystals Article A Combined Crystallographic and Computational Study on Dexketoprofen Trometamol Dihydrate Salt Patrizia Rossi 1 , Paola Paoli 1,* , Stella Milazzo 1, Laura Chelazzi 2 , Maria Paola Giovannoni 3, Gabriella Guerrini 3 , Andrea Ienco 4,* , Maurizio Valleri 5 and Luca Conti 6 1 Department of Industrial Engineering, University of Florence, via Santa Marta 3, 50139 Florence, Italy; p.rossi@unifi.it (P.R.); stella.milazzo@unifi.it (S.M.) 2 Centro di Cristallografia Strutturale, University of Florence, via della Lastruccia 3, Sesto F.no, 50019 Florence, Italy; laura.chelazzi@unifi.it 3 NEUROFARBA, Sezione Farmaceutica e Nutraceutica, University of Florence, Via Ugo Schiff 6, Sesto F.no, 50019 Florence, Italy; mariapaola.giovannoni@unifi.it (M.P.G.); gabriella.guerrini@unifi.it (G.G.) 4 CNR-ICCOM, via Madonna del Piano 10, Sesto F.no, 50019 Florence, Italy 5 A. Menarini Manufacturing Logistics and Services s.r.l., via R. Pilo 4, 50131 Florence, Italy;
[email protected] 6 Department of Chemistry “U. Schiff”, University of Florence, via della Lastruccia 3, Sesto F.no, 50019 Florence, Italy; luca.conti@unifi.it * Correspondence: paola.paoli@unifi.it (P.P.);
[email protected] (A.I.) Received: 29 June 2020; Accepted: 30 July 2020; Published: 31 July 2020 Abstract: Dexketoprofen trometamol is the tromethamine salt of dexketoprofen [(2S)-2-(3-benzoylphenyl) propanoic acid-2-amino-2-(hydroxymethyl)propane-1,3-diol], a nonsteroidal anti-inflammatory drug (NSAID) used for the treatment of moderate- to strong-intensity acute pain. The crystal structure of the hitherto sole known hydrate phase of dexketoprofen trometamol (DK-T_2H2O), as determined by single-crystal X-ray diffraction, is presented.