Substance
- Substance Name: Dabigatran etexilate mesylate
- Formula: C35H45N7O8S
- Molecular Weight: 723.8 g/mol
- Identifiers:
- inchi: InChI=1S/C34H41N7O5.CH4O3S/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29;1-5(2,3)4/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44);1H3,(H,2,3,4)
- inchikey: XETBXHPXHHOLOE-UHFFFAOYSA-N
- casrn: 872728-81-9
- csmiles: CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N.CS(=O)(=O)O
- ismiles: CCCCCCOC(=O)/N=C(\C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)/N.CS(=O)(=O)O
- pubchemId: 10439877
- iupacname: ethyl 3-[[2-[[4-[(E)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;methanesulfonic acid
- wikidataId: Q27139056
- chemspiderId: 8615298
- dsstoxcmpId: DTXCID20158739
- chemblId: CHEMBL1615369
- ecnumber: 828-727-6
Dabigatran etexilate mesylate
Systems and Datasets
- Dabigatran etexilate mesylate (Datasets: 2)
- Dataset 1 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- methanol + Dabigatran etexilate mesylate (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- ethanol + Dabigatran etexilate mesylate (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- 1,2-ethanediol + Dabigatran etexilate mesylate (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- dimethylformamide + Dabigatran etexilate mesylate (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- N,N-dimethylethanamide + Dabigatran etexilate mesylate (Datasets: 1)
- Dataset 7 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 1, Datapoints: 8, Quantity: Mole fraction)
- ethanol + methanol + Dabigatran etexilate mesylate (Datasets: 1)
- Dataset 8 in paper 10.1016/j.jct.2016.07.048 (Dataseries: 8, Datapoints: 88, Quantity: Mole fraction)