Fumaridine
3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.4 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 30341-98-1 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2 |
| InChIKey | ZMAHFZSTFDAVRW-UHFFFAOYSA-N |
📖 Product Overview
Fumaridine (CAS: 30341-98-1) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.4 g/mol. Its IUPAC systematic name is 3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one.
ZMAHFZSTFDAVRW-UHFFFAOYSA-N.
SMILES: CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2.
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