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Information × Registration Number 0224U033450, (0123U103072) , R & D reports Title Study of polymorphism of biologically active substances by X-ray diffraction methods popup.stage_title Обробка даних, отриманих методами рентгеноструктурного аналізу. Підготовка публікацій. Head Shaposhnyk Anna M., к.х.н. Registration Date 27-12-2024 Organization State Scientific Institution Scientific and Technological Complex" Institute of Single Crystals "of the National Academy of Sciences of Ukraine popup.description1 Search for new polymorphic modifications of biologically active substances and APIs and establish their structure by X-ray diffraction methods. popup.description2  Report for the RW: 28 pages, 10 figures, 8 tables, 28 reference sources. The object of the study: polymorphic modifications of active pharmaceutical ingredients and biologically active substances. The purpose of the work: the search for new polymorphic modifications of biologically active substances and APIs and establishing their structure by X-ray diffraction methods. The main methods of research: X-ray structural studies by the method of single crystal and powder diffractions. Use of the Rietveld method for quantitative analysis of powder diffraction patterns and refinement of profile characteristics of powder patterns. Main results: 1. Desloratadine API has three polymorphic modifications I-III. Polymorph II is metastable and is formed only during the synthesis of desloratadine officinal in production, and any further processing of the resulting desloratadine substance leads to its partial transition into polymorphs I and/or III; 2. During the recrystallization of the desloratadine substance from various solvents, as well as the melt, it leads to the complete disappearance of polymorphic modification II in the composition of the sample; 3. The ratio of polymorphs I and III in the recrystallized product depends on the type of solvent used for recrystallization; 4. The maximum content of polymorph I was obtained during recrystallization from chloroform (77 wt.%), polymorph III - during recrystallization from water (86 wt.%) and from melt (90 wt.%); 5. As a result of polymorphic screening, two new polymorphic modifications of the API ketorolac trometamol were obtained. Modification (I) crystallizes in the space group I2/a, modification (II) – P-1. Based on the results of the work1 article and 1 abstract of reports were published, 1 article was submitted for consideration to the editorial board of the journal. Key words: biologically active substance, crystal structure, polymorphism, X-ray diffraction, Rietveld method. Product Description popup.authors Shaposhnyk Anna M. popup.nrat_date 2024-12-27 Close