Npc248142
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate
Also Known As: (+)-Scopolamine|d-Scopolamine|scopolamine|(+)-Hyoscine|(R)-(+)-Hyoscine|Npc248142|Scopolamine N-Oxide Impurity 24|Scopolamine Impurity 16(R-Isomer)|(1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (2R)-3-hydroxy-2-phenylpropanoate|(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2R)-3-hydroxy-2-phenylpropanoate|(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (R)-3-hydroxy-2-phenylpropanoate|(R)-alpha-(Hydroxymethyl)benzeneacetic acid (1beta,2alpha,4alpha,5beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7alpha-yl ester|[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate|Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(R)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.14706 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14706 |
| Monoisotopic Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 64069-63-2 |
|---|---|
| SMILES | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4 |
| InChIKey | STECJAGHUSJQJN-GAUPFVANSA-N |
Product Overview
Npc248142 (CAS 64069-63-2), with molecular formula C17H21NO4 and molecular weight 303.14706 g/mol. IUPAC: [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate.