Ibogaine

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via JSmol

Physical properties []
Molecular mass	310.4 g/mol [1]
Melting point	148 °C [1]
Solubility	Soluble in chloroform [1]
Predicted LogP	3.9 [1]

Structural Identifiers []
Molecular formula	C20H26N2O [1]
IUPAC name	(1R,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene [1]
SMILES	CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC [1]
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 [1]
InChIKey	HSIBGVUMFOSJPD-CFDPKNGZSA-N [1]

Ibogaine

Ibogaine (also known as 12-Methoxyibogamine, Endabuse, (-)-Ibogaine, (5β)-12-methoxyibogamine, (18R)-12-methoxyibogamine, 7-Ethyl-6,6β,7,8,9,10,12,13-octahydro-2-methoxy-6,9-methano-5H-pyrido(1',2':1,2)azepino(5,4-b)indole, 12 Methoxyibogamine, 6,9-Methano-5H-pyrido(1',2':1,2)azepino(4,5-b)indole, ibogamine deriv., 6,9-Methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole, ibogamine deriv. or (1R,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo(13.3.1.02,10.04,9.013,18)nonadeca-2(10),4(9),5,7-tetraene) is a psychedelic substance of the tryptamine class.

Chemistry