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http://hdl.handle.net/2445/162874| Title: | Combined Virtual/Experimental Multicomponent Solid Forms Screening of Sildenafil: New Salts, Cocrystals, and Hybrid Salt−Cocrystals |
| Author: | Barbas Cañero, Rafael Font Bardia, Ma. Mercedes Paradkar, A. Hunter, C. A. Prohens López, Rafael |
| Keywords: | Àcids orgànics Sals Estructura cristal·lina (Sòlids) Organic acids Salts Layer structure (Solids) |
| Issue Date: | 30-Oct-2018 |
| Publisher: | American Chemical Society |
| Abstract: | New multicomponent solid forms of sildenafil have been discovered by means of a combined virtual/experimental cocrystal screening. Coformer selection of candidates was conducted based on an in silico screening method from a database of more than 2000 organic compounds, and the intensive experimental screen produced 23 new solid forms. Since the 12 coformers chosen have a combination of phenol and carboxylic acid groups, a variety of cocrystals, salts, and hybrid salt-cocrystals were discovered and characterized. |
| Note: | Versió postprint del document publicat a: https://doi.org/10.1021/acs.cgd.8b01413 |
| It is part of: | Crystal Growth & Design, 2018, vol. 18, num. 12, p. 7618-7627 |
| URI: | http://hdl.handle.net/2445/162874 |
| Related resource: | https://doi.org/10.1021/acs.cgd.8b01413 |
| ISSN: | 1528-7483 |
| Appears in Collections: | Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada) |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 693054.pdf | 2.38 MB | Adobe PDF | View/Open |
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