N-Methylscopolamine

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Systematic / IUPAC Name: 7-[(3-Hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane

ID: Reference2462

Other Names: Methylscopolamine

Formula: C18H24NO4 +

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

N-Methylscopolamine 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2015 1:27:01 PM
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Identificators

InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1
InChI Key LZCOQTDXKCNBEE-UHFFFAOYSA-N
Canonical SMILES C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C
CAS
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Other Names Methylscopolamine

In Other Databases

PubChem 4120
ChEMBL CHEMBL107979
Wikipedia Methylscopolamine bromide
ChemSpider 3977