Tofisoline
[1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]azanide
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.5 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 41.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 29726-99-6 |
|---|---|
| SMILES | CCC1=C([N+](=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)[NH-])C |
| InChIKey | IQLRWLFPGKTMDX-UHFFFAOYSA-N |
📖 Product Overview
Tofisoline (CAS: 29726-99-6) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.5 g/mol. Its IUPAC systematic name is [1-(3,4-dimethoxyphenyl)-4-ethyl-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]azanide.
IQLRWLFPGKTMDX-UHFFFAOYSA-N.
SMILES: CCC1=C([N+](=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)[NH-])C.
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