Dabigatran

Base Information

• Chemical Name: Dabigatran
• CAS No.: 211914-51-1
• Molecular Formula: C25H25N7O3
• Molecular Weight: 471.51
• European Community (EC) Number: 859-177-5
• UNII: I0VM4M70GC
• DSSTox Substance ID: DTXSID50175419
• Nikkaji Number: J3.014.665D
• Wikipedia: Dabigatran
• Wikidata: Q419345
• NCI Thesaurus Code: C73224
• RXCUI: 1546356
• Pharos Ligand ID: JPL68U7VZNTQ
• Metabolomics Workbench ID: 65233
• ChEMBL ID: CHEMBL48361
• Mol file: 211914-51-1.mol

Synonyms:BIBR 1048;dabigatran;dabigatran etexilate;dabigatran etexilate mesylate;Etexilate Mesylate, Dabigatran;Etexilate, Dabigatran;Mesylate, Dabigatran Etexilate;N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-alanine;Pradaxa

Chemical Property of Dabigatran

Chemical Property:

• Appearance/Colour: Tan solid
• Vapor Pressure: 8.45E-27mmHg at 25°C
• Melting Point: 268-272 °C
• Refractive Index: 1.694
• Boiling Point: 797.1 °C at 760 mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 435.9 °C
• PSA: 150.22000
• Density: 1.38 g/cm³
• LogP: 3.85900
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Aqueous Acid
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 471.20188768
• Heavy Atom Count: 35
• Complexity: 757

Purity/Quality:

99% ^*data from raw suppliers

Dabigatran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Drug Classes: Antithrombotic Agents
• Canonical SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
• Recent ClinicalTrials: ReAHEAD: A Study to Find Out Whether Education Improves Adherence to Dabigatran in People With Atrial Fibrillation Who Are Younger Than 75 Years
• Recent EU Clinical Trials: Anticoagulation for New-Onset Post-Operative Atrial Fibrillation after CABG
• Recent NIPH Clinical Trials: Comparing change in coagulation system during catheter invasion between IIa inhibitors versus Xa inhibitors.
• Uses: BIBR 953 (Dabigatran, Pradaxa) is potent nonpeptide thrombin inhibitor with an IC50 of 9.3 nM Nonpeptide, direct thrombin inhibitor. Antithrombotic.