Thalistine; O5-Me, N2-Me
AlkaPlorer ID: AK315830
Synonym: Thalistyline, O-Methylthalirabine
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-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
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)=C3CCN2C)C=C1
InChI: InChI=1S/C41H49N2O8/c1-42-17-15-28-30(22-37-41(39(28)47-7)50-24-49-37)32(42)19-25-9-12-27(13-10-25)51-35-21-26(11-14-34(35)44-4)20-33-31-23-36(45-5)40(48-8)38(46-6)29(31)16-18-43(33,2)3/h9-14,21-23,32-33H,15-20,24H2,1-8H3/q+1
InChIKey: BWMIXNFPFRIESN-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 697.849
TPSA？: 77.08000000000001
MolLogP？: 6.938600000000008
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 7
Activities Information
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