Atropine

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Systematic / IUPAC Name: [(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate

ID: Reference13970

Other Names: Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ( α S)-;
[(1S,5R)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;
AA-3770

Formula: C17H23NO3

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 520
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/1/2026 3:18:17 PM
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Identificators

InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
InChI Key RKUNBYITZUJHSG-VFSICIBPSA-N
Canonical SMILES CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2
CAS
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Other Names Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ( α S)-;
[(1S,5R)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;
AA-3770

In Other Databases

PubChem 154417; 154417
ChEMBL CHEMBL2449003
ChemSpider 136044
ChEBI CHEBI:92712