Analyte Name

O-(2-Ethylbutyl) Dabigatran-d3 Ethyl Ester

Molecular Formula

C34 D3 H38 N7 O5

Molecular Weight

630.752

Accurate Mass

630.336

SMILES

[2H]C([2H])([2H])n1c(CNc2ccc(cc2)C(=N)NC(=O)OCC(CC)CC)nc3cc(ccc13)C(=O)N(CCC(=O)OCC)c4ccccn4

InChI

InChI=1S/C34H41N7O5/c1-5-23(6-2)22-46-34(44)39-32(35)24-11-14-26(15-12-24)37-21-30-38-27-20-25(13-16-28(27)40(30)4)33(43)41(19-17-31(42)45-7-3)29-10-8-9-18-36-29/h8-16,18,20,23,37H,5-7,17,19,21-22H2,1-4H3,(H2,35,39,44)/i4D3

IUPAC

ethyl 3-[[2-[[4-[N-(2-ethylbutoxycarbonyl)carbamimidoyl]anilino]methyl]-1-(trideuteriomethyl)benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Unlabelled CAS Number

1610758-20-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat