prikaz prve stranice dokumenta Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment
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Scientific paper - Original scientific paper
Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment
Crystals, 14 (2024), 12; 1073. https://doi.org/10.3390/cryst14121073
Štefan, Leo; Đilović, Ivica; Saftić Martinović, Lara; Vianello, Robert; Čikoš, Ana

Institutional repository: Repository of the University of Rijeka, Faculty of Medicine

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Štefan, L., Đilović, I., Saftić Martinović, L., Vianello, R. & Čikoš, A. (2024). Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment. Crystals, 14. (12). doi: 10.3390/cryst14121073

Štefan, Leo, et al. "Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment." Crystals, vol. 14, no. 12, 2024. https://doi.org/10.3390/cryst14121073

Štefan, Leo, Ivica Đilović, Lara Saftić Martinović, Robert Vianello and Ana Čikoš. "Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment." Crystals 14, no. 12 (2024). https://doi.org/10.3390/cryst14121073

Štefan, L., et al. (2024) 'Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment', Crystals, 14(12). doi: 10.3390/cryst14121073

Štefan L, Đilović I, Saftić Martinović L, Vianello R, Čikoš A. Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment. Crystals [Internet]. 2024 December 12 [cited 2024 December 23];14(12). doi: 10.3390/cryst14121073

L. Štefan, I. Đilović, L. Saftić Martinović, R. Vianello and A. Čikoš, "Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment", Crystals, vol. 14, no. 12, December 2024. [Online]. Available at: https://urn.nsk.hr/urn:nbn:hr:184:050383. [Accessed: 23 December 2024]

Metadata
Title (english)Methimazole-Related Substances: Structural Characterization and In Silico Toxicity Assessment
AuthorLeo Štefan
AuthorIvica Đilović
AuthorLara Saftić Martinović
AuthorRobert Vianello
AuthorAna Čikoš
Author's institutionUniversity of Rijeka
Faculty of Medicine
(Department of Chemistry and Biochemistry)
Scientific / art field,
discipline and subdiscipline		BIOMEDICINE AND HEALTHCARE
Pharmacy
Scientific / art field,
discipline and subdiscipline		BIOMEDICINE AND HEALTHCARE
Basic Medical Sciences
Medical Biochemistry
Abstract (english)
The continuous tightening of pharmaceutical regulations forces drug manufacturers to unambiguously characterize the substances related to the active pharmaceutical ingredients (API). Here, we report the synthesis, complete spectroscopic, chromatographic, thermal and computational characterization, as well as in silico prediction of bacterial mutagenicity for two previously reported but never fully characterized impurities of methimazole. Additionally, their structures were analyzed by single-crystal X-ray diffraction. 1-Methyl-(2-methylthio)-1H-imidazole also known as methimazole impurity C, was obtained mainly in the form of the iodide salt (C5H9IN2S) crystallizing in monoclinic space group P21/c. The disulfide (2,2′-disulphanylbis(1-methyl-1H-imidazole)), C8H10N4S2) was obtained in yellow form crystallizing in the monoclinic C2/c space group.
Keywords (english)
Languageenglish
Publication typeScientific paper - Original scientific paper
Publication statusPublished
Peer reviewPeer review - international
Publication versionPublished version
Journal titleCrystals
Numberingvol. 14, no. 12, 1073
e-ISSN2073-4352
DOIhttps://doi.org/10.3390/cryst14121073
URN:NBNurn:nbn:hr:184:050383
Publication2024-12-12
Document URLhttps://www.mdpi.com/2073-4352/14/12/1073
Type of resourceText
Access conditionsOpen access
Terms of useLicence Attribution 4.0 International (CC BY 4.0) icon
Created on2024-12-17 07:29:16