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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
Estructura cristal·lina (Sòlids)
Organic acids
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:
It is part of: Crystal Growth & Design, 2018, vol. 18, num. 12, p. 7618-7627
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ISSN: 1528-7483
Appears in Collections:Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

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