Dabigatran etexilate mesilateProduct ingredient for Dabigatran etexilate
- Name
- Dabigatran etexilate mesilate
- Drug Entry
- Dabigatran etexilate
Dabigatran etexilate is an oral prodrug that is hydrolyzed to the competitive and reversible direct thrombin inhibitor dabigatran.5,16,18,19 Dabigatran etexilate may be used to decrease the risk of venous thromboembolic events in patients in whom anticoagulation therapy is indicated.5 In contrast to warfarin, because its anticoagulant effects are predictable, lab monitoring is not necessary.5 Dabigatran etexilate was approved by the FDA in 2010.17
- Accession Number
- DBSALT000035
- Structure
Structure for Dabigatran etexilate mesilate (DBSALT000035)
- Synonyms
- Dabigatran etexilate mesylate
- UNII
- SC7NUW5IIT
- CAS Number
- 872728-81-9
- Weight
- Average: 723.839
Monoisotopic: 723.305032141 - Chemical Formula
- C35H45N7O8S
- InChI Key
- XETBXHPXHHOLOE-UHFFFAOYSA-N
- 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)
- IUPAC Name
- ethyl 3-(1-{2-[({4-[amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoate; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CCCCCCOC(=O)N=C(N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=CC=CC=N3)N2C)C=C1
- External Links
- PubChem Compound
- 10439877
- ChemSpider
- 8615298
- ChEBI
- 70743
- ChEMBL
- CHEMBL1615369
- Wikipedia
- Dabigatran
- Predicted Properties
Property Value Source Water Solubility 0.00466 mg/mL ALOGPS logP 5.17 ALOGPS logP 4.59 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 17.89 Chemaxon pKa (Strongest Basic) 4.48 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 154.03 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 176.43 m3·mol-1 Chemaxon Polarizability 71.55 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon