None

AlkaPlorer ID: AK479396

Synonym: None

IUPAC Name: (1S)-6,7-dimethoxy-1-[[4-methoxy-3-[4-[[(6S)-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl]phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol

Structure

SMILES: COC1=CC=C(C[C@H]2C3=CC(OC)=C(OC)C(O)=C3CCN2C)C=C1OC1=CC=C(C[C@H]2C3=CC(OC)=C4OCOC4=C3CCN2C)C=C1

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InChI: InChI=1S/C39H44N2O8/c1-40-15-13-26-28(20-34(44-4)38(46-6)36(26)42)31(40)18-24-9-12-32(43-3)33(19-24)49-25-10-7-23(8-11-25)17-30-29-21-35(45-5)39-37(47-22-48-39)27(29)14-16-41(30)2/h7-12,19-21,30-31,42H,13-18,22H2,1-6H3/t30-,31-/m0/s1

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InChIKey: OLUBXTYZCRTRJK-CONSDPRKSA-N

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Source

Properties Information

Molecule Weight: 668.787

TPSA: 91.32

MolLogP: 6.491000000000008

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information