Toxiferine

Molecular structure via molpic based on CDK

Physical properties []
Molecular mass	614.8 g/mol [1]
Predicted LogP	1.8 [1]

Structural Identifiers []
Molecular formula	C40H46N4O2+2 [1]
IUPAC name	(2E)-2-[(1S,9Z,11S,13S,14S,17S,25Z,27S,30S,33S,35S,36S,38E)-38-(2-hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol [1]
SMILES	C[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\N7[C@H]8/C(=C6)/[C@@H]9/C(=C\CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=C\CO)/C1)CC2 [1]
InChI	InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1 [1]
InChIKey	IIYHWTVUYIYKKG-QQRSFBQTSA-N [1]

Toxiferine

Toxiferine (also known as Toxiferine I, Toxiferine I, 2,2',16,16'-tetradehydro-16,16',17,17'-tetrahydro-, C-Toxiferine I or C09246) is a neurotoxin and nicotinic antagonist substance of the phenidate class.

Chemistry