Ibogaine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 48
Total Number of Articles : 54
PubChem 197060
Molecular Formula

C20H26N2O

SMILES

CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC

InChI

InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1

synonyms
  • IBOGAINE
  • 12-Methoxyibogamine
  • Endabuse
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Properties
Property Value
MW 310.4 g/mol
HBD 1
HBA 2
Rotatable Bond Count 2
Exact Mass 310.204513457 g/mol
Monoisotopic Mass 310.204513457 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 455
xlogp 3.9
Topological Polar Surface Area 28.3