PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Scopolamine
PCNDIDS0061
Pubchem CID : 5184
Molecular formula: C17H21NO4

Molecular weight : 303.350

Canonical SMILES : CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4

Synonymes : scopolamine|(-)-Scopolamine|51-34-3|Atroscine|CHEMBL13030|138-12-5|(+)-Scopolamine|(+)-Hyoscine|Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (.alpha.S)-|9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate|tropic acid ester with scopine|HSDB 4074|Atroscin|Plexonal|EINECS 200-090-3|9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate|NSC61806|SCHEMBL16227|6-.beta.,7-.beta.-Epoxy-3-.alpha.-tropanyl S-(-)-tropate|ChEMBL_11434|MLS006012038|3-Oxa-9-azatricyclo(3.3.1.O(2,4))nonan-7-ol, 9-methyl-, tropate|6-beta,7-beta-epoxy-1-alpha H,5-alpha H-tropan-3-alpha-ol (-)-tropate|9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol (-)-tropate|Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.O(2,4))non-7-yl ester|CHEBI:91541|DTXSID60858963|1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester)|Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-|BBL033894|BDBM50015720|STL377948|AKOS001581155|AKOS016038549|NCGC00015932-03|NCGC00162334-01|SMR001307730|VS-12336|LS-144660|AB00826823-11|L001096|BRD-A14566392-004-03-5|81D34684-E0B2-4B3A-A36C-FB916BBC90F7|9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl tropate|9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2),?]nonan-7-yl 3-hydroxy-2-phenylpropanoate|9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 3-hydroxy-2-phenylpropanoate|(hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.0*2,4*]non-7-yl ester|(S)-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate|[(1S,2S,4R,5S)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate|475199-31-6|Benzotropine3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.0*2,4*]non-7-yl ester

Structure
3D structure 2D structure
5184
Predicted properties (NCBI Pubchem)

Physicochemical Properties