Thalistine; O5-Me, N2,N2'-di-Me
AlkaPlorer ID: AK315829
Synonym: Methothalistyline, 2'-N-Methylthalistyline
IUPAC Name: 9-methoxy-5-[[4-[2-methoxy-5-[(5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Structure
SMILES: COC1=CC=C(CC2C3=CC(OC)=C(OC)C(OC)=C3CC[N+]2(C)C)C=C1OC1=CC=C(CC2C3=CC4=C(OCO4)C(OC)=C3CC[N+]2(C)C)C=C1
InChI: InChI=1S/C42H52N2O8/c1-43(2)19-17-30-32(24-38-42(40(30)48-8)51-25-50-38)33(43)20-26-10-13-28(14-11-26)52-36-22-27(12-15-35(36)45-5)21-34-31-23-37(46-6)41(49-9)39(47-7)29(31)16-18-44(34,3)4/h10-15,22-24,33-34H,16-21,25H2,1-9H3/q+2
InChIKey: AQJUOAPVBUCVAX-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 712.884
TPSA？: 73.84000000000002
MolLogP？: 7.083200000000009
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 7
Activities Information
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