Ipratropium

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Systematic / IUPAC Name: 3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane

ID: Reference2207

Other Names: (8-Methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate

Formula: C20H30NO3 +

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Ipratropium 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 Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 164
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/31/2018 10:55:08 AM
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Identificators

InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
InChI Key OEXHQOGQTVQTAT-UHFFFAOYSA-N
Canonical SMILES CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C
CAS
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Other Names (8-Methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate

In Other Databases

Wikipedia Ipratropium bromide
KEGG C07052
ChemSpider 3615
PubChem 3746
ChEMBL CHEMBL1615433