N-[[2-[[[4-[Imino[[[(3-methylpentyl)oxy]carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-Alanine Ethyl Ester

CAS: 2225986-94-5

Ref. TR-D222590

Produktinformation

• Name: N-[[2-[[[4-[Imino[[[(3-methylpentyl)oxy]carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-Alanine Ethyl Ester
• Synonyme: N-[[2-[[[4-[Imino[[[(3-methylpentyl)oxy]carbonyl]amino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-Alanine Ethyl Ester

Beschreibung

Applications Dabigatran Impurity 1 is an impurity of Dabigatran (D100090(P)). Dabigatran 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)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 627.733
• Formel: C₃₄H₄₁N₇O₅
• Farbe/Form: Neat
• InChl: InChI=1S/C34H41N7O5/c1-5-23(3)17-20-46-34(44)39-32(35)24-10-13-26(14-11-24)37-22-30-38-27-21-25(12-15-28(27)40(30)4)33(43)41(19-16-31(42)45-6-2)29-9-7-8-18-36-29/h7-15,18,21,23,37H,5-6,16-17,19-20,22H2,1-4H3,(H2,35,39,44)
• InChI Key: InChIKey=QHCXHSUVHKBNAE-UHFFFAOYSA-N
• SMILES: CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)NC(=O)OCCC(C)CC)cc1)n2C)c1ccccn1