Dabigatran

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 178
Total Number of Articles : 988
PubChem 216210
Molecular Formula

C25H25N7O3

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

InChI

InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)

synonyms
  • Dabigatran
  • 211914-51-1
  • BIBR 953
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Properties
Property Value
MW 471.5 g/mol
HBD 4
HBA 7
Rotatable Bond Count 9
Exact Mass 471.20188768 g/mol
Monoisotopic Mass 471.20188768 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 757
xlogp 1.7
Topological Polar Surface Area 150