Ailanthoidine

2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile

Also Known As: Ailanthoidine|4-Pyridinecarbonitrile, 2-(1-(12,13-dihydro-1,2-dimethoxy-12-methyl(1,3)benzodioxolo(5,6-c)phenanthridin-13-yl)ethyl)-, (R*,S*)-|2-[(1S)-1-[(13R)-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl]pyridine-4-carbonitrile|(13R)-13-[(S)-1-(4-Cyano-2-pyridinyl)ethyl]-12-methyl-1,2-dimethoxy-12,13-dihydro[1,3]benzodioxolo[5,6-c]phenanthridine|2-((1S)-1-((13R)-1,2-dimethoxy-12-methyl-13H-(1,3)benzodioxolo(5,6-c)phenanthridin-13-yl)ethyl)pyridine-4-carbonitrile|2-[(1S)-1-[(20R)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1,3,8,10,12,14,16,18-octaen-20-yl]ethyl]pyridine-4-carbonitrile|2-{(1S)-1-[(13R)-1,2-Dimethoxy-12-methyl-12,13-dihydro-9H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl]ethyl}pyridine-4-carbonitrile

Molecular Formula	C29H25N3O4
Molecular Weight	479.1845 g/mol
LogP	5.3
Topological Polar Surface Area	76.8 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	479.1845
Monoisotopic Mass	479.1845
Heavy Atoms	36
Complexity	833.0

Chemical Identifiers

CAS Number	86003-22-7
SMILES	C[C@@H]([C@@H]1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=CC5=C(C=C4C=C3)OCO5)C6=NC=CC(=C6)C#N
InChIKey	OIRFYVWUJLJIKS-CHAGWJKLSA-N