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9-Ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile Hydrochloride Full article

Journal Molbank
ISSN: 1422-8599
Output data Year: 2024, Volume: 2024, Number: 1, Article number : M1759, Pages count : DOI: 10.3390/m1759
Authors Buikin Petr A. 1,2 , Vologzhanina Anna V. 1 , Novikov Roman A. 3 , Korlyukov Alexander A. 1
Affiliations
1 A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., 119334 Moscow, Russia
2 N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 31 Leninskii prosp., 119991 Moscow, Russia
3 N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Ssciences, 47 Leninsky prosp., 119991 Moscow, Russia

Abstract: Alectinib hydrochloride is an anticancer medication used for the first-line treatment of non-small cell lung cancer. Although it was approved for medical use ten years ago, and three polymorphs of this substance were proposed based on X-ray diffraction patterns, their crystal structures remained unknown to date. The main problem was the preparation of high quality single crystals due to the very low solubility of the salt. Herein, we report on the molecular and crystal structure of form I of alectinib hydrochloride as obtained using powder X-ray diffraction data from a laboratory source. Short Cl…N distances between the anion and the nitrogen atoms of the morpholine and benzo[b]carbazole rings indicate the positions of the H(N) atoms. As a result, the cation and anion form infinite Cl…H(N)-bonded chains.
Cite: Buikin P.A. , Vologzhanina A.V. , Novikov R.A. , Korlyukov A.A.
9-Ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile Hydrochloride
Molbank. 2024. V.2024. N1. M1759 . DOI: 10.3390/m1759 WOS Scopus OpenAlex
Identifiers:
Web of science: WOS:001193337900001
Scopus: 2-s2.0-85189150802
OpenAlex: W4390608354
Citing: Пока нет цитирований
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