Quinine

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Systematic / IUPAC Name: (8α,9R)-6'-Methoxycinchonan-9-ol

ID: Reference2303

Other Names: (R)-(6-Methoxy-quinolin-4-yl)-[(2S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]-methanol;
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol

Formula: C20H24N2O2

Class: Endogenous Metabolites Therapeutics/Prescription Drugs Excipients/Additives/Colorants Sports Doping Drugs Natural Products/Medicines

Spectral Data

Quinine 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 Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 6048
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods ESI; APCI; NSI
Analyzers IT; FT
Last Modification 2/20/2015 10:20:27 AM
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Identificators

InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19-,20+/m0/s1
InChI Key LOUPRKONTZGTKE-VOMFEXJBSA-N
Canonical SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
CAS 130950
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Other Names (R)-(6-Methoxy-quinolin-4-yl)-[(2S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]-methanol;
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol

In Other Databases

PubChem 8549
Wikipedia Quinine
ChemSpider 8231
ChEMBL CHEMBL387326
KEGG C06526; D08460
ChemIDPlus 000130950