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N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-Beta-Alanine Methyl Ester

CAS:

Ref. TR-H298158

10mg
271.00€
25mg
564.00€
100mg
1,830.00€
N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5…
TRC

Product Information

Name:N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-Beta-Alanine Methyl Ester
Controlled Product
Synonyms:
  • DaBigatran Impurity F
Brand:TRC
Description:Applications N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-Alanine Methyl Ester was used in preparation of thrombin inhibitors. It was also used to analyze and reduce potential impurities in dabigatra etexilate mesylate processes. References Hauel, N., et al.: PCT Int. Appl. (1998), WO 9837075 A1 19980827; Hauel, N., et al.: Ger. Offen. (1998), DE 19706229 A1 19980820; Pantovic, J., et al: J. Pharm. Biomed. Anal., 111, 7 (2015); Zheng, Y., et al.: Org. Process Res. Dev., 18, 744 (2014)
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Chemical properties

Molecular weight:613.71
Formula:C33H39N7O5
Color/Form:Neat
InChI:InChI=1S/C33H39N7O5/c1-4-5-6-9-20-45-33(43)38-31(34)23-11-14-25(15-12-23)36-22-29-37-26-21-24(13-16-27(26)39(29)2)32(42)40(19-17-30(41)44-3)28-10-7-8-18-35-28/h7-8,10-16,18,21,36H,4-6,9,17,19-20,22H2,1-3H3,(H2,34,38,43)
InChI key:InChIKey=JYCBMCKZNSEICQ-UHFFFAOYSA-N
SMILES:CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OC)c4ccccn4)ccc3n2C)cc1

Technical inquiry about: N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-Beta-Alanine Methyl Ester

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