Phellodendrine
(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol
Also Known As: Phellodendrine|Phallodendrin|OB-5 Compound|Phellodendrine chloride|AC1L1S0N|AC1Q56O2|C20H24NO4+|CP0071|s9172|N2419|N2479|X1202|(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol|(13as)-2,11-dihydroxy-3,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-6h-isoquino[3,2-a]isoquinolinium
| Molecular Formula | C20H24NO4+ |
|---|---|
| Molecular Weight | 342.17053 g/mol |
| LogP | 2.92 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.17053 |
| Heavy Atoms | 25 |
| Complexity | 848.1 |
Chemical Identifiers
| CAS Number | 6873-13-8 |
|---|---|
| SMILES | C[N+]12CCC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C4C2)OC)O)O)OC |
Product Overview
Phellodendrine (CAS 6873-13-8), with molecular formula C20H24NO4+ and molecular weight 342.17053 g/mol. IUPAC: (13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol.
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