O-Desethyl O-Isopropyl Dabigatran Etexilate-d13

CAS: 1610758-19-4

Ref. TR-D289379

Product Information

• Name: O-Desethyl O-Isopropyl Dabigatran Etexilate-d13
• Synonyms: propan-2-yl 3-[[1-methyl-2-[[4-[N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Description

Applications O-Desethyl O-Isopropyl Dabigatran Etexilate-d13 is the labelled form of O-Desethyl O-Isopropyl Dabigatran Etexilate (D289378). O-Desethyl O-Isopropyl Dabigatran Etexilate is an impurity of Dabigatran Etexilate Mesylate (D100150). Dabigatran Etexilate Mesylate is a nonpeptide, direct thrombin inhibitor and an Antithrombotic agent.
References Hauel, N., et al.: J. Med. Chem., 45, 1757 (2002); Mungall, D., et al.: Curr. Opin. Invest. Drugs, 3, 095 (2002); Stangier, J., et al.: J. Clin. Pharmacol., 45, 555 (2005)

• Brand: TRC

Chemical properties

• Molecular weight: 654.84
• Formula: C₃₅D₁₃H₃₀N₇O₅
• Color/Form: Neat
• InChI: InChI=1S/C35H43N7O5/c1-5-6-7-10-21-46-35(45)40-33(36)25-12-15-27(16-13-25)38-23-31-39-28-22-26(14-17-29(28)41(31)4)34(44)42(30-11-8-9-19-37-30)20-18-32(43)47-24(2)3/h8-9,11-17,19,22,24,38H,5-7,10,18,20-21,23H2,1-4H3,(H2,36,40,45)/i1D3,5D2,6D2,7D2,10D2,21D2
• InChI key: InChIKey=IVRRXRHFMPACFO-GXSWMVCRSA-N
• SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OC(C)C)c4ccccn4)ccc3n2C)cc1