Analyte Name

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

Molecular Formula

C35 D3 H40 N7 O5

Molecular Weight

644.778

Accurate Mass

644.351

SMILES

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

InChI

InChI=1S/C35H43N7O5/c1-5-7-8-11-24(3)47-35(45)40-33(36)25-13-16-27(17-14-25)38-23-31-39-28-22-26(15-18-29(28)41(31)4)34(44)42(21-19-32(43)46-6-2)30-12-9-10-20-37-30/h9-10,12-18,20,22,24,38H,5-8,11,19,21,23H2,1-4H3,(H2,36,40,45)/i4D3

IUPAC

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

Unlabelled CAS Number

1610758-21-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat