Dabigatran Carboxamide Ethyl Ester

CAS: 1422435-41-3

Ref. TR-D100170

Produktinformation

• Name: Dabigatran Carboxamide Ethyl Ester
• Synonyme: Ethyl 3-[[2-[(4-carbamoylanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate, β-Alanine, N-[[2-[[[4-(aminocarbonyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
• Marke: TRC

Beschreibung

Applications Dabigatran Carboxamide Ethyl Ester is an impurity of Dabigatran Etexilate Mesylate (D100150) which is a nonpeptide, direct thrombin inhibitor.
References Hauel, N., et al.: J. Med. Chem., 45, 1757 (2002); Mungall, D., et al.: Curr. Opin. Invest. Drugs, 3, 095 (2002); Stangier, J., et al.: J. Clin. Pharmacol., 45, 555 (2005)

Chemische Eigenschaften

• Molekulargewicht: 500.55
• Formel: C₂₇H₂₈N₆O₄
• Farbe/Form: Neat
• InChl: InChI=1S/C27H28N6O4/c1-3-37-25(34)13-15-33(23-6-4-5-14-29-23)27(36)19-9-12-22-21(16-19)31-24(32(22)2)17-30-20-10-7-18(8-11-20)26(28)35/h4-12,14,16,30H,3,13,15,17H2,1-2H3,(H2,28,35)
• InChI Key: InChIKey=ATPVLOGCHWOVKJ-UHFFFAOYSA-N
• SMILES: CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(N)=O)cc1)n2C)c1ccccn1