scopolamine
AlkaPlorer ID: AK000536
Synonym: 'scopine (-)-tropate', 'Hyoscine', '6,7-Epoxytropine tropate', '9-methyl-3-oxa-9-azatricyclo3.3.1.0~2,4~non-7-yl tropate', '(-)-hyoscine', 'MLS001074339', 'Scopolamine', '6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate', '(-)-Hyoscine', '(-)-scopolamine', 'SMR001223688', 'MLS001202315', 'Scopine (-)-tropate', 'Hydroscine hydrobromide', '(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate', 'SMR000674614', 'MLSMR', 'MLS001360651', 'SMR000564993', 'scopolamine', 'Hyoscine hydrobromide', '9-methyl-3-oxa-9-azatricyclo3.3.1.0~2,4~non-7-yl 3-hydroxy-2-phenylpropanoate hydrochloride', 'alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester', 'Scopine tropate'
IUPAC Name: [(1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Structure
SMILES: CN1[C@H]2CC(OC(=O)[C@H](CO)C3=CC=CC=C3)C[C@H]1[C@H]1O[C@H]12
InChI: InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13+,14+,15-,16+/m1/s1
InChIKey: STECJAGHUSJQJN-YXPYLGEYSA-N
Source
Properties Information
Molecule Weight: 303.358
TPSA？: 62.3
MolLogP？: 0.9180999999999996
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
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