CHEBI:27502 - quinidine D-gluconate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name quinidine D-gluconate
ChEBI ID CHEBI:27502
ChEBI ASCII Name quinidine D-gluconate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:8720, CHEBI:26495
Supplier Information
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Formula C26H36N2O9
Net Charge 0
Average Mass 520.57200
Monoisotopic Mass 520.24208
InChI InChI=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
InChIKey XHKUDCCTVQUHJQ-LCYSNFERSA-N
SMILES [H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C(O)=O.[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)c1ccnc2ccc(OC)cc12
ChEBI Ontology
Outgoing 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 gluconate KEGG COMPOUND
Manual Xref Database
D00642 KEGG DRUG
View more database links
Registry Numbers Types Sources
6113959 Beilstein Registry Number Beilstein
7054-25-3 CAS Registry Number ChemIDplus
Last Modified
28 July 2014