Dioxyline hydrochloride
1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium chloride
| Molecular Formula | C22H26ClNO4 |
|---|---|
| Molecular Weight | 403.9 g/mol |
| Topological Polar Surface Area | 51.1 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.15503 |
| Heavy Atoms | 28 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 5807-56-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC2=[NH+]C(=CC3=CC(=C(C=C32)OC)OC)C)OC.[Cl-] |
| InChIKey | MJBCABRMQNZIRC-UHFFFAOYSA-N |
📖 Product Overview
Dioxyline hydrochloride (CAS: 5807-56-7) is a chemical compound with molecular formula C22H26ClNO4 and molecular weight 403.9 g/mol. Its IUPAC systematic name is 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium chloride.
MJBCABRMQNZIRC-UHFFFAOYSA-N.
SMILES: CCOC1=C(C=C(C=C1)CC2=[NH+]C(=CC3=CC(=C(C=C32)OC)OC)C)OC.[Cl-].
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