N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]carbonyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine

Analyte Name

N-[(2-[([4-[([(Hexyloxy)carbonyl]amino)carbonyl]phenyl]amino)methyl]-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alanine

CAS Number

1408238-37-8

Molecular Formula

C32 H36 N6 O6

Molecular Weight

600.66

Accurate Mass

600.2696

SMILES

CCCCCCOC(=O)NC(=O)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)cc1

InChI

InChI=1S/C32H36N6O6/c1-3-4-5-8-19-44-32(43)36-30(41)22-10-13-24(14-11-22)34-21-28-35-25-20-23(12-15-26(25)37(28)2)31(42)38(18-16-29(39)40)27-9-6-7-17-33-27/h6-7,9-15,17,20,34H,3-5,8,16,18-19,21H2,1-2H3,(H,39,40)(H,36,41,43)

IUPAC

3-[[2-[[4-(hexoxycarbonylcarbamoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Dabigatran Etexilate Mesylate

Purity

>95% (HPLC)