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CHEBI:27502 - quinidine D-gluconate

ChEBI IDCHEBI:27502
ChEBI Namequinidine D-gluconate
Stars
ASCII Namequinidine D-gluconate
Secondary ChEBI IDsCHEBI:8720, CHEBI:26495
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H24N2O2.C6H12O7
Net Charge0
Average Mass520.579
Monoisotopic Mass520.24208
SMILES[H][C@](O)([C@]([H])(O)[C@]([H])(O)CO)[C@@]([H])(O)C(=O)O.[H][C@]1([C@@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@@]1C[C@@H]2C=C
InChIInChI=1S/C20H24N2O2.C6H12O7/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;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)/t13-,14-,19+,20-;2-,3-,4+,5-/m01/s1
InChIKeyXHKUDCCTVQUHJQ-LCYSNFERSA-N
ChEBI Ontology
Outgoing Relation(s)
quinidine D-gluconate (CHEBI:27502) has functional parent quinidine (CHEBI:28593)
quinidine D-gluconate (CHEBI:27502) is a D-gluconate adduct (CHEBI:20984)
IUPAC Name 
(9S)-6'-methoxycinchonan-9-ol—D-gluconic acid (1:1)
Synonym  Source
Quinidine gluconateKEGG COMPOUND
Manual XrefsDatabases
D00642KEGG DRUG
Registry NumbersSources
Beilstein:6113959Beilstein
CAS:7054-25-3ChemIDplus