EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28593 - quinidine

ChEBI IDCHEBI:28593
ChEBI Namequinidine
Stars
DefinitionA cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.
Secondary ChEBI IDsCHEBI:8719, CHEBI:26494, CHEBI:127150, CHEBI:355477, CHEBI:529982, CHEBI:595841, CHEBI:597286, CHEBI:604323
Last Modified7 March 2019
DownloadsMolfile

FormulaC20H24N2O2
Net Charge0
Average Mass324.424
Monoisotopic Mass324.18378
SMILES[H][C@]1([C@@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@@]1C[C@@H]2C=C
InChIInChI=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
InChIKeyLOUPRKONTZGTKE-LHHVKLHASA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(9S)-6'-methoxycinchonan-9-ol
Synonyms  Source
QuinidineKEGG COMPOUND
(+)-quinidineChemIDplus
(8R,9S)-quinidineChemIDplus
ConchininChemIDplus
conquinineChemIDplus
pitayineChemIDplus
Brand Name  Source
KinidinKEGG DRUG
Manual XrefsDatabases
C06527KEGG COMPOUND
D08458KEGG DRUG
DB00908DrugBank
LSM-3325LINCS
2346DrugCentral
Registry NumbersSources
Reaxys:91866Reaxys
CAS:56-54-2KEGG COMPOUND
CAS:56-54-2ChemIDplus
CAS:56-54-2NIST Chemistry WebBook
Citations