Prestwick_1053
(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;hydrochloride
Also Known As: Prestwick_1053|Hyoscine hydrochloride|Scopolamine hydrochloride|Scopolamine, hydrochloride|Chlorhydrate de scopolamine|(-)-Scopolamine hydrochloride|<1-14C>Hyoscin-hydrochlorid|EINECS 200-225-6|Chlorhydrate de scopolamine [French]
CAS: 55-16-3
| Molecular Formula | C17H22ClNO4 |
|---|---|
| Molecular Weight | 339.12375 g/mol |
| LogP | 1.3399 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.12375 |
| Monoisotopic Mass | 339.12375 |
| Heavy Atoms | 23 |
| Complexity | 550.9716 |
Chemical Identifiers
| CAS Number | 55-16-3 |
|---|---|
| SMILES | CN1C2CC(CC1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Cl |
Product Overview
Prestwick_1053 (CAS 55-16-3), with molecular formula C17H22ClNO4 and molecular weight 339.12375 g/mol. IUPAC: (9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate;hydrochloride.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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