Thalistyline

(6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline

Also Known As: Thalistyline|KST-1A7371|(1s)-5,6,7-trimethoxy-1-[4-methoxy-3-(4-{[(6s)-4-methoxy-7-methyl-6,7,8,9-tetrahydro[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)benzyl]-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium|(6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline|(1S)-5,6,7-Trimethoxy-1-{[4-methoxy-3-(4-{[(6S)-4-methoxy-7-methyl-6,7,8,9-tetrahydro-2H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)phenyl]methyl}-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium|Isoquinolinium, 1,2,3,4-tetrahydro-5,6,7-trimethoxy-1-((4-methoxy-3-(4-((5,6,7,8-tetrahydro-9-methoxy-6-methyl-1,3-diolo(4,5-g)isoquinolin-5-yl)methyl)phenoxy)phenyl)methyl)-2,2-dimethyl-, (S-(R*,R*))-|Isoquinolinium,1,2,3,4-tetrahydro-5,6,7-trimethoxy-1-[[4-methoxy-3-[4-[[(5S)-5,6,7,8-tetrahydro-9-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenoxy]phenyl]methyl]-2,2-dimethyl-,(1S)-

Molecular Formula	C41H49N2O8+
Molecular Weight	697.3489 g/mol
LogP	6.9
Topological Polar Surface Area	77.1 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	11
Exact Mass	697.3489
Monoisotopic Mass	697.3489
Heavy Atoms	51
Complexity	1110.0

Chemical Identifiers

CAS Number	6698-98-2
SMILES	CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OC)OCO3
InChIKey	UNLANLZLFACELM-LQJZCPKCSA-N