CAS 211915-00-3

β-​Alanine, N-​[[2-​[[[4-​[[[(hexyloxy)​carbonyl]​amino]​iminomethyl]​phenyl]​amino]​methyl]​-​1-​methyl-​1H-​benzimidazol-​5-​yl]​carbonyl]​

Description:

The chemical substance known as β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl] is a complex organic compound characterized by its structural components, which include a β-alanine backbone and various functional groups such as amines, carbonyls, and aromatic rings. This compound features a hexyloxy carbonyl group, contributing to its hydrophobic properties, while the presence of the benzimidazole moiety may impart biological activity, potentially influencing interactions with biological targets. The molecular structure suggests that it may exhibit solubility in organic solvents and possibly limited solubility in water due to the hydrophobic hexyl chain. Its potential applications could span areas such as pharmaceuticals, where it may serve as a building block or a ligand in drug design. The compound's CAS number, 211915-00-3, allows for precise identification in chemical databases, facilitating research and development in various scientific fields.

Formula: C₃₃H₃₉N₇O₅

Dabigatran iMpurity J

CAS: 211915-00-3

Formula: C₃₃H₃₉N₇O₅

Purity: 98%

Color and Shape: Solid

Molecular weight: 613.7067

Ref: IN-DA00BHGZ

Methyl 3-(2-(((4-(N-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate (Dabigatran Impurity)

CAS: 211915-00-3

Methyl 3-(2-(((4-(N-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate (Dabigatran Impurity)

Purity: 98%

Molecular weight: 613.71g/mol

Ref: 54-OR1031694

Dabigatran Impurity 87

CAS: 211915-00-3

Formula: C₃₃H₃₉N₇O₅

Color and Shape: Off-White Solid

Molecular weight: 613.72

Ref: 4Z-D-5917

Methyl 3-{1-[2-({[4-({[(hexyloxy)carbonyl]amino}methanimidoyl)phenyl]amino}methyl)-1-methyl-1H-1,3-benzodiazol-5-yl]-N-(pyridin-2-yl)formamido}propanoate

CAS: 211915-00-3

Purity: 95%

Molecular weight: 613.718994140625

Ref: 10-F816213

Dabigatran Impurity 5

CAS: 211915-00-3

Formula: C₃₃H₃₉N₇O₅

Molecular weight: 613.71

Ref: ST-EA-CP-D5002

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

Controlled Product

CAS: 211915-00-3

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)

Formula: C₃₃H₃₉N₇O₅

Color and Shape: Neat

Molecular weight: 613.71

Ref: TR-H298158