FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2897966245> ?p ?o ?g. }

• W2897966245 endingPage "490" @default.
• W2897966245 startingPage "479" @default.
• W2897966245 abstract "Supramolecular reactions between a muscle relaxant drug, Metaxalone, 5-[(3,5-dimethylphenoxy) methyl]-2-oxazolidinone with a few carboxamides like nicotinamide, isonicotinamide, salicylamide and carboxylic acid coformers such as 3- ydroxybenzoic acid, 4-hydroxybenzoic acid resulted binary coc- rystals. The cocrystals were initially characterized by PXRD, FT/IR, ss-NMR, DSC and finally confirmed by single crystal X-ray diffraction. Surprisingly, all the novel cocrystals exhibited melting endotherm lower than the drug and coformer, which is not so common (29%) in the literature. Vibrational spec- troscopy suggests the possible stoichiometry of the drug cocrystals based on the number of carbonyl stretching frequencies and hydrate formation in case of 4-hydroxybenzoic acid cocrystal. 13C-ssNMR spectroscopy of metaxaloneesalicylamide cocrystal indicates the possibility of more symmetry inde-pendent molecule of the drug in the starting material to less in the cocrystal and molecular conformation was also reflected in the spectrum. The corresponding crystal structure consists of one molecule each of metaxalone and salicylamide in the asymmetric unit. Similar to the thermodynamically stable form of the drug and cocrystals with mono/di-carboxylic acids, metaxalone forms centrosymmetric NeH/O hydrogen bonded imide-imide homodimer in this cocrystal. Salicylamide molecules also form centro-symmetric amide-amide homosynthon. Both the homodimers are perpendicularly (79!) interlinked via bifurcated carbonyl oxygen of the drug, which results 1D chain along the crystallographic b-axis.Auxiliary C/H/O interactions further stabilize the bonding between the drug and salicylamide. Binding energy calculation of metaxalone/salicylamide homodimer and metaxalone!salicylamide heterodimer using B3LYP/6-311þþG** method and in addition, the stacking energy interactions in the API suggest the most preferred API homodimer synthon in the reported polymorphs and cocrystals. The pharmaceutical cocrystals of metaxalone with amide functionalities are reported for the first time in the literature." @default.
• W2897966245 created "2018-10-26" @default.
• W2897966245 creator A5008875010 @default.
• W2897966245 creator A5010872432 @default.
• W2897966245 creator A5011855581 @default.
• W2897966245 creator A5054382077 @default.
• W2897966245 creator A5070483959 @default.
• W2897966245 date "2019-02-01" @default.
• W2897966245 modified "2023-09-27" @default.
• W2897966245 title "Lower melting pharmaceutical cocrystals of metaxalone with carboxamide functionalities" @default.
• W2897966245 cites W1910016306 @default.
• W2897966245 cites W1951885505 @default.
• W2897966245 cites W1979992305 @default.
• W2897966245 cites W2002643463 @default.
• W2897966245 cites W2007068681 @default.
• W2897966245 cites W2013103299 @default.
• W2897966245 cites W2023271753 @default.
• W2897966245 cites W2030136979 @default.
• W2897966245 cites W2059205366 @default.
• W2897966245 cites W2067129640 @default.
• W2897966245 cites W2067663802 @default.
• W2897966245 cites W2073897781 @default.
• W2897966245 cites W2078447254 @default.
• W2897966245 cites W2086945873 @default.
• W2897966245 cites W2092157292 @default.
• W2897966245 cites W2114394229 @default.
• W2897966245 cites W2117427401 @default.
• W2897966245 cites W2131350133 @default.
• W2897966245 cites W2143408925 @default.
• W2897966245 cites W2148941593 @default.
• W2897966245 cites W2155414001 @default.
• W2897966245 cites W2275090351 @default.
• W2897966245 cites W2275214558 @default.
• W2897966245 cites W2313560210 @default.
• W2897966245 cites W2325717405 @default.
• W2897966245 cites W2346538334 @default.
• W2897966245 cites W2356915594 @default.
• W2897966245 cites W2622595890 @default.
• W2897966245 cites W2626544338 @default.
• W2897966245 cites W2785040354 @default.
• W2897966245 cites W2788462403 @default.
• W2897966245 cites W2802043492 @default.
• W2897966245 cites W2879351017 @default.
• W2897966245 doi "https://doi.org/10.1016/j.molstruc.2018.10.039" @default.
• W2897966245 hasPublicationYear "2019" @default.
• W2897966245 type Work @default.
• W2897966245 sameAs 2897966245 @default.
• W2897966245 citedByCount "8" @default.
• W2897966245 countsByYear W28979662452020 @default.
• W2897966245 countsByYear W28979662452021 @default.
• W2897966245 countsByYear W28979662452022 @default.
• W2897966245 countsByYear W28979662452023 @default.
• W2897966245 crossrefType "journal-article" @default.
• W2897966245 hasAuthorship W2897966245A5008875010 @default.
• W2897966245 hasAuthorship W2897966245A5010872432 @default.
• W2897966245 hasAuthorship W2897966245A5011855581 @default.
• W2897966245 hasAuthorship W2897966245A5054382077 @default.
• W2897966245 hasAuthorship W2897966245A5070483959 @default.
• W2897966245 hasConcept C100687433 @default.
• W2897966245 hasConcept C112887158 @default.
• W2897966245 hasConcept C153642686 @default.
• W2897966245 hasConcept C178790620 @default.
• W2897966245 hasConcept C185592680 @default.
• W2897966245 hasConcept C2776730177 @default.
• W2897966245 hasConcept C2777246417 @default.
• W2897966245 hasConcept C2777611233 @default.
• W2897966245 hasConcept C2778439535 @default.
• W2897966245 hasConcept C2909186759 @default.
• W2897966245 hasConcept C32909587 @default.
• W2897966245 hasConcept C71240020 @default.
• W2897966245 hasConcept C8010536 @default.
• W2897966245 hasConceptScore W2897966245C100687433 @default.
• W2897966245 hasConceptScore W2897966245C112887158 @default.
• W2897966245 hasConceptScore W2897966245C153642686 @default.
• W2897966245 hasConceptScore W2897966245C178790620 @default.
• W2897966245 hasConceptScore W2897966245C185592680 @default.
• W2897966245 hasConceptScore W2897966245C2776730177 @default.
• W2897966245 hasConceptScore W2897966245C2777246417 @default.
• W2897966245 hasConceptScore W2897966245C2777611233 @default.
• W2897966245 hasConceptScore W2897966245C2778439535 @default.
• W2897966245 hasConceptScore W2897966245C2909186759 @default.
• W2897966245 hasConceptScore W2897966245C32909587 @default.
• W2897966245 hasConceptScore W2897966245C71240020 @default.
• W2897966245 hasConceptScore W2897966245C8010536 @default.
• W2897966245 hasLocation W28979662451 @default.
• W2897966245 hasOpenAccess W2897966245 @default.
• W2897966245 hasPrimaryLocation W28979662451 @default.
• W2897966245 hasRelatedWork W1978692375 @default.
• W2897966245 hasRelatedWork W1989515978 @default.
• W2897966245 hasRelatedWork W2012242108 @default.
• W2897966245 hasRelatedWork W2029290456 @default.
• W2897966245 hasRelatedWork W2034237503 @default.
• W2897966245 hasRelatedWork W2052745965 @default.
• W2897966245 hasRelatedWork W2072074866 @default.
• W2897966245 hasRelatedWork W2228940734 @default.
• W2897966245 hasRelatedWork W2327525420 @default.
• W2897966245 hasRelatedWork W2897966245 @default.
• W2897966245 hasVolume "1178" @default.

• next