Scopolamine

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Systematic / IUPAC Name: 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl tropate

ID: Reference595

Other Names: Scopolamin ;
6-β,7-β-Epoxy-3-α-tropanyl S-(-)-tropate;
6,7-Epoxytropine tropate;
Hyoscine;
Hyosol ; more

Formula: C17H21NO4

Class: Endogenous Metabolites Therapeutics/Prescription Drugs

Spectral Data

Scopolamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 119
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2016 6:48:23 AM
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Identificators

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
InChI Key STECJAGHUSJQJN-UHFFFAOYSA-N
Canonical SMILES CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4
CAS 51343
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Other Names Scopolamin ;
6-β,7-β-Epoxy-3-α-tropanyl S-(-)-tropate;
6,7-Epoxytropine tropate;
Hyoscine;
Hyosol;
Isoscopil;
Scopamin;
Scopine (-)-tropate;
Scopine tropate;
Transderm-scop;
α-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester

In Other Databases

KEGG C01851
HMDb HMDB03573
ChEBI CHEBI:16794
ChEMBL CHEMBL569713
Wikipedia Hyoscine hydrobromide; Scopolamin (DE)
ChemSpider 10194106
PubChem 5184