N-Methoxycarbonyl Dabigatran Ethyl Ester

Analyte Name

N-Methoxycarbonyl Dabigatran Ethyl Ester

CAS Number

211914-96-4

Molecular Formula

C29H31N7O5

Molecular Weight

557.6

Accurate Mass

557.2387

SMILES

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc3ccc(cc3)C(=N)NC(=O)OC)n2C)c4ccccn4

InChI

InChI=1S/C29H31N7O5/c1-4-41-26(37)14-16-36(24-7-5-6-15-31-24)28(38)20-10-13-23-22(17-20)33-25(35(23)2)18-32-21-11-8-19(9-12-21)27(30)34-29(39)40-3/h5-13,15,17,32H,4,14,16,18H2,1-3H3,(H2,30,34,39)

IUPAC

ethyl 3-[[2-[[4-(N-methoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)