Thalifaberine
AlkaPlorer ID: AK315782
Synonym: 3-O-Methylthalifarapine
IUPAC Name: 8-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C(CC1=CC=C(OC3=C4CC5C6=C(C4=CC(OC)=C3OC)C(OC)=C(OC)C(OC)=C6CCN5C)C=C1)N(C)CC2
InChI: InChI=1S/C41H48N2O8/c1-42-16-14-24-19-32(44-3)33(45-4)21-27(24)30(42)18-23-10-12-25(13-11-23)51-38-29-20-31-35-26(15-17-43(31)2)37(47-6)41(50-9)40(49-8)36(35)28(29)22-34(46-5)39(38)48-7/h10-13,19,21-22,30-31H,14-18,20H2,1-9H3
InChIKey: RRKYSGHTIGWTJQ-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 696.8409999999999
TPSA？: 80.32000000000001
MolLogP？: 7.062900000000009
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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