Ivabradine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 114
Total Number of Articles : 115
PubChem 132999
Molecular Formula

C27H36N2O5

SMILES

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC

InChI

InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1

synonyms
  • Ivabradine
  • 155974-00-8
  • S-16257
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Properties
Property Value
MW 468.6 g/mol
HBD 0
HBA 6
Rotatable Bond Count 10
Exact Mass 468.26242225 g/mol
Monoisotopic Mass 468.26242225 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 663
xlogp 2.4
Topological Polar Surface Area 60.5