Atropine

enlarge

Systematic / IUPAC Name: 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate

ID: Reference329

Other Names: 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate;
DL-Tropanyl 2-hydroxy-1-phenylpropionate;
Daturine;
Atropin;
Atropina ; more

Formula: C17H23NO3

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Natural Products/Medicines

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 Elite; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 371
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 12:36:30 PM
View Mass Spec Data > >

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
InChI Key RKUNBYITZUJHSG-UHFFFAOYSA-N
Canonical SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
CAS 51558
Splash
Other Names 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate;
DL-Tropanyl 2-hydroxy-1-phenylpropionate;
Daturine;
Atropin;
Atropina;
(±)-Atropine;
(±)-Hyoscyamine;
DL-Hyoscyamine

In Other Databases

ChemIDPlus 000051558
PubChem 3661
ChEMBL CHEMBL9751
Wikipedia Atropine; Hyoscyamine
ChemSpider 3534; 21108562; 21111676; 21240692; 21395313