AC1L4DXY
(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl) acetate iodide
Also Known As: 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide|(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl) acetate iodide|8-(Acetyloxy)-6,6-dimethyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
| Molecular Formula | C14H18INO4 |
|---|---|
| Molecular Weight | 391.02805 g/mol |
| LogP | -1.3865 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.02805 |
| Monoisotopic Mass | 391.02805 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 69259-69-4 |
|---|---|
| SMILES | CC(=O)OC1C[N+](CC2=CC3=C(C=C12)OCO3)(C)C.[I-] |
| InChIKey | QTQNQMVDXMBGMZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L4DXY (CAS 69259-69-4), with molecular formula C14H18INO4 and molecular weight 391.02805 g/mol. IUPAC: (6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl) acetate iodide.
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