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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Delgado, J. M.
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Publications (4/4 displayed)
- 2016Structural non-linear models and simulation techniques: An efficient combination for safety evaluation of RC structures
- 2015Structural non-linear models and simulation techniques: An efficient combination for safety evaluation of RC structures
- 2014Three new structural forms of thiocolchicoside, a muscle relaxant, as shown by X-ray powder diffraction
- 2007The presence of polymorphism in oxytetracycline hydrochloride shown by X-ray powder diffraction techniques
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article
Three new structural forms of thiocolchicoside, a muscle relaxant, as shown by X-ray powder diffraction
Abstract
<jats:p>Thiocolchicoside (THC) is an important active pharmaceutical ingredient (API) used as a muscle relaxant because of its anti-inflammatory and analgesic effects. The only entry for a THC-related compound present in the Cambridge Structural Database (CSD) corresponds to a THC ethanol solvate hydrate (refcode: THCLCS). The diffraction pattern recorded for the THC raw material (C<jats:sub>27</jats:sub>H<jats:sub>33</jats:sub>NO<jats:sub>10</jats:sub>S·<jats:italic>x</jats:italic>H<jats:sub>2</jats:sub>O) is different from the pattern calculated using the THCLCS crystallographic data contained in the CSD. The indexing of the THC raw material pattern, produced an orthorhombic unit cell with <jats:bold><jats:italic>a</jats:italic></jats:bold> = 28.018(7) Å, <jats:bold><jats:italic>b</jats:italic></jats:bold> = 12.519(2) Å, <jats:bold><jats:italic>c</jats:italic></jats:bold> = 8.519(1) Å, and <jats:italic>V</jats:italic> = 2988.01 Å<jats:sup>3</jats:sup>. All the diffraction maxima of the powder pattern of a phase recrystallized in water (C<jats:sub>27</jats:sub>H<jats:sub>33</jats:sub>NO<jats:sub>10</jats:sub>S·2H<jats:sub>2</jats:sub>O) can be indexed in an orthorhombic cell with <jats:bold><jats:italic>a</jats:italic></jats:bold> = 25.264(4) Å, <jats:bold><jats:italic>b</jats:italic></jats:bold> = 13.537(3) Å, <jats:bold><jats:italic>c</jats:italic></jats:bold> = 8.553(1) Å, and <jats:italic>V</jats:italic> = 2925.12 Å<jats:sup>3</jats:sup>. Thermogravimetric analysis shows that this compound is a dihydrate phase. Upon heating, a new anhydrous phase (C<jats:sub>27</jats:sub>H<jats:sub>33</jats:sub>NO<jats:sub>10</jats:sub>S) with a monoclinic cell and unit cell parameters: <jats:bold><jats:italic>a</jats:italic></jats:bold> = 17.090(5) Å, <jats:bold><jats:italic>b</jats:italic></jats:bold> = 19.485(5) Å, <jats:bold><jats:italic>c</jats:italic></jats:bold> = 8.526(3) Å, <jats:italic>β</jats:italic> = 100.30(2)°, and <jats:italic>V</jats:italic> = 2793.34 Å<jats:sup>3</jats:sup> is obtained.</jats:p>