Synthesis, crystal structural, and spectral characterisation of dabigatran etexilate tetrahydrate

被引:4
作者
Cai, Zhi-Qiang [1 ]
Hou, Xu [1 ]
Kong, Du-Lin [2 ]
Hou, Ling [1 ]
Hu, Zhi-Quan [1 ]
机构
[1] Shenyang Univ Technol, Sch Petrochem Engn, Liaoyang 111003, Liaoning, Peoples R China
[2] Hainan Med Univ, Sch Pharmaceut Sci, Haikou 571199, Hainan, Peoples R China
关键词
dabigatran etexilate; thrombin inhibitor; tetrahydrate; crystal structure; thermal analysis; DIRECT THROMBIN INHIBITOR; ATRIAL-FIBRILLATION; VENOUS THROMBOEMBOLISM; STROKE PREVENTION; ANTICOAGULATION; WARFARIN; PHARMACODYNAMICS; PHARMACOKINETICS; HEMORRHAGE; HEPARIN;
D O I
10.3184/174751916X14664340623037
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Dabigatran etexilate tetrahydrate, C34H49N7O9, has been crystallised at ambient conditions. The colourless crystal was investigated using X-ray crystallography with single crystals and powder techniques, and was characterised by thermogravimetric-differential thermal analysis (TG-DTA) and infrared spectroscopy (IR). The compound was shown to be a tetrahydrate. A dabigatran etexilate molecule and four water molecules form a large ring structure, and intra-molecular hydrogen bonds contribute to the formation of a stable molecule in the unit cell.
引用
收藏
页码:461 / 466
页数:6
相关论文
共 29 条
[1]  
[Anonymous], 2018, UPD INF RISK BLOOD C
[2]   Successful co-administration of dabigatran etexilate and protease inhibitors ritonavir/lopinavir in a patient with atrial fibrillation [J].
Barco, Stefano ;
Coppens, Michiel ;
van den Dool, Erik-Jan ;
van de Kerkhof, Daan ;
Stroobants, An K. ;
Middeldorp, Saskia .
THROMBOSIS AND HAEMOSTASIS, 2014, 112 (04) :836-838
[3]  
Beliavskaia O O, 2014, Angiol Sosud Khir, V20, P37
[4]   The metabolism and disposition of the oral direct thrombin inhibitor, dabigatran, in humans [J].
Blech, Stefan ;
Ebner, Thomas ;
Ludwig-Schwellinger, Eva ;
Stangier, Joachim ;
Roth, Willy .
DRUG METABOLISM AND DISPOSITION, 2008, 36 (02) :386-399
[5]  
Brian D J, 1996, SYNTHETIC COMMUN, V26, P4351
[6]   Study-Randomized Evaluation of Dabigatran Etexilate Compared to Warfarin in Pulmonary Vein Ablation: Assessment of an Uninterrupted Periprocedural Anticoagulation Strategy [J].
Calkins, Hugh ;
Gerstenfeld, Edward P. ;
Schilling, Richard ;
Verma, Atul ;
Willems, Stephan .
AMERICAN JOURNAL OF CARDIOLOGY, 2015, 115 (01) :154-155
[7]   THROMBIN ACTIVE-SITE INHIBITORS [J].
DAS, J ;
KIMBALL, SD .
BIOORGANIC & MEDICINAL CHEMISTRY, 1995, 3 (08) :999-1007
[8]   Cost-effectiveness of dabigatran compared with warfarin for patients with atrial fibrillation in Sweden [J].
Davidson, Thomas ;
Husberg, Magnus ;
Janzon, Magnus ;
Oldgren, Jonas ;
Levin, Lars-Ake .
EUROPEAN HEART JOURNAL, 2013, 34 (03) :177-183
[9]   New Oral Anticoagulants for the Treatment of Venous Thromboembolism: Understanding Differences and Similarities [J].
Dobesh, Paul P. ;
Fanikos, John .
DRUGS, 2014, 74 (17) :2015-2032
[10]   Dabigatran efficacy-safety assessment for stroke prevention in patients with atrial fibrillation [J].
Eikelboom, J. W. ;
Quinlan, D. J. ;
Connolly, S. J. ;
Hart, R. G. ;
Yusuf, S. .
JOURNAL OF THROMBOSIS AND HAEMOSTASIS, 2012, 10 (05) :966-968