Ticagrelor

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 191
Total Number of Articles : 507
PubChem 9871419
Molecular Formula

C23H28F2N6O4S

SMILES

CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1

synonyms
  • Ticagrelor
  • 274693-27-5
  • Brilinta
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Properties
Property Value
MW 522.6 g/mol
HBD 4
HBA 12
Rotatable Bond Count 10
Exact Mass 522.18608089 g/mol
Monoisotopic Mass 522.18608089 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 736
xlogp 2
Topological Polar Surface Area 164