Matches in SemOpenAlex for { <https://semopenalex.org/work/W2904385475> ?p ?o ?g. }
- W2904385475 endingPage "4275" @default.
- W2904385475 startingPage "4259" @default.
- W2904385475 abstract "Carbamazepine (CBZ) is used in the treatment of multiple neurological conditions. Although efficacious, its potential has been limited by its poor solubility, which means that patients are required to take very large doses to gain the desired effect. Co-crystals have been proposed as a means of improving the physicochemical properties of pharmaceutical compounds while maintaining their efficacy. CBZ cocrystallized with saccharin (SAC) and nicotinamide (NIC) have previously been studied, with the CBZ-SAC crystal being more soluble than the commercially available product Tegretol, which only contains CBZ, while the nicotinamide cocrystal was found to be less soluble. High-resolution X-ray crystallography has been carried out on the CBZ-SAC cocrystal and its individual constituents to determine which features of the electron density distribution contribute to the differing physical properties. The number of hydrogen bonds found for the CBZ, SAC, and CBZ-SAC systems were 8, 5, and 10, respectively. Homosynthons (interactions between a pair of identical functional groups) are the primary bonding motif in CBZ and SAC, while a heterosynthon is also present in the cocrystal. Molecular electrostatic potential (MEP) maps show that cocrystallization results in changes in distribution around the carboxamide group, thus accommodating heterosynthon formation and leading to subsequent charge redistribution across the CBZ molecule. Additional lattice energy calculations were not able to provide a definitive answer as to which system was most stable. Solid state entropy calculations revealed that the CBZ-SAC cocrystal had a higher entropy, providing explanations for the lower melting point and improved dissolution profile previously described. These investigations at an electronic level help to explain the greater solubility of the CBZ-SAC cocrystal compared to CBZ alone." @default.
- W2904385475 created "2018-12-22" @default.
- W2904385475 creator A5026528359 @default.
- W2904385475 creator A5044366589 @default.
- W2904385475 creator A5049410413 @default.
- W2904385475 creator A5060257765 @default.
- W2904385475 creator A5067632543 @default.
- W2904385475 creator A5075980883 @default.
- W2904385475 creator A5084264345 @default.
- W2904385475 creator A5087889331 @default.
- W2904385475 creator A5088845547 @default.
- W2904385475 date "2018-12-13" @default.
- W2904385475 modified "2023-10-14" @default.
- W2904385475 title "Exploring the Solubility of the Carbamazepine–Saccharin Cocrystal: A Charge Density Study" @default.
- W2904385475 cites W1560171643 @default.
- W2904385475 cites W1849331108 @default.
- W2904385475 cites W1968506014 @default.
- W2904385475 cites W1969169061 @default.
- W2904385475 cites W1979368277 @default.
- W2904385475 cites W1982356449 @default.
- W2904385475 cites W1982562853 @default.
- W2904385475 cites W1984714896 @default.
- W2904385475 cites W1990170643 @default.
- W2904385475 cites W1992964622 @default.
- W2904385475 cites W1995008519 @default.
- W2904385475 cites W1995158051 @default.
- W2904385475 cites W1998920258 @default.
- W2904385475 cites W2004501422 @default.
- W2904385475 cites W2007068681 @default.
- W2904385475 cites W2010656424 @default.
- W2904385475 cites W2011172280 @default.
- W2904385475 cites W2011894734 @default.
- W2904385475 cites W2012488984 @default.
- W2904385475 cites W2015225761 @default.
- W2904385475 cites W2019552102 @default.
- W2904385475 cites W2022049527 @default.
- W2904385475 cites W2022323062 @default.
- W2904385475 cites W2023271753 @default.
- W2904385475 cites W2031480474 @default.
- W2904385475 cites W2041568015 @default.
- W2904385475 cites W2058210013 @default.
- W2904385475 cites W2062852634 @default.
- W2904385475 cites W2065172707 @default.
- W2904385475 cites W2066233477 @default.
- W2904385475 cites W2066870295 @default.
- W2904385475 cites W2069366429 @default.
- W2904385475 cites W2079268284 @default.
- W2904385475 cites W2089854187 @default.
- W2904385475 cites W2094811133 @default.
- W2904385475 cites W2095193811 @default.
- W2904385475 cites W2098222684 @default.
- W2904385475 cites W2107955565 @default.
- W2904385475 cites W2117074047 @default.
- W2904385475 cites W2121269062 @default.
- W2904385475 cites W2150298553 @default.
- W2904385475 cites W2151579516 @default.
- W2904385475 cites W2163742089 @default.
- W2904385475 cites W2268899684 @default.
- W2904385475 cites W2302521423 @default.
- W2904385475 cites W2321093873 @default.
- W2904385475 cites W2321862370 @default.
- W2904385475 cites W2323392861 @default.
- W2904385475 cites W2335172167 @default.
- W2904385475 cites W2344499084 @default.
- W2904385475 cites W2347155071 @default.
- W2904385475 cites W2486924199 @default.
- W2904385475 cites W2559501893 @default.
- W2904385475 cites W2606957441 @default.
- W2904385475 cites W2731568958 @default.
- W2904385475 cites W2786265915 @default.
- W2904385475 cites W2952684232 @default.
- W2904385475 cites W4206184091 @default.
- W2904385475 cites W4300792623 @default.
- W2904385475 doi "https://doi.org/10.1021/acs.cgd.8b01111" @default.
- W2904385475 hasPublicationYear "2018" @default.
- W2904385475 type Work @default.
- W2904385475 sameAs 2904385475 @default.
- W2904385475 citedByCount "8" @default.
- W2904385475 countsByYear W29043854752019 @default.
- W2904385475 countsByYear W29043854752022 @default.
- W2904385475 countsByYear W29043854752023 @default.
- W2904385475 crossrefType "journal-article" @default.
- W2904385475 hasAuthorship W2904385475A5026528359 @default.
- W2904385475 hasAuthorship W2904385475A5044366589 @default.
- W2904385475 hasAuthorship W2904385475A5049410413 @default.
- W2904385475 hasAuthorship W2904385475A5060257765 @default.
- W2904385475 hasAuthorship W2904385475A5067632543 @default.
- W2904385475 hasAuthorship W2904385475A5075980883 @default.
- W2904385475 hasAuthorship W2904385475A5084264345 @default.
- W2904385475 hasAuthorship W2904385475A5087889331 @default.
- W2904385475 hasAuthorship W2904385475A5088845547 @default.
- W2904385475 hasConcept C100687433 @default.
- W2904385475 hasConcept C112887158 @default.
- W2904385475 hasConcept C121332964 @default.
- W2904385475 hasConcept C147597530 @default.
- W2904385475 hasConcept C150708132 @default.
- W2904385475 hasConcept C155574463 @default.
- W2904385475 hasConcept C169760540 @default.