Analyte Name

2-Chloromethyl Dabigatran Etexilate

Molecular Formula

C35 H42 Cl N7 O5

Molecular Weight

676.205

Accurate Mass

675.294

SMILES

CCCCCCOC(=O)NC(=N)c1ccc(cc1)N(CCl)Cc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4

InChI

InChI=1S/C35H42ClN7O5/c1-4-6-7-10-21-48-35(46)40-33(37)25-12-15-27(16-13-25)42(24-36)23-31-39-28-22-26(14-17-29(28)41(31)3)34(45)43(20-18-32(44)47-5-2)30-11-8-9-19-38-30/h8-9,11-17,19,22H,4-7,10,18,20-21,23-24H2,1-3H3,(H2,37,40,46)

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat