quinine (qualaquin) Report issue

Small molecule Orphan Drug FDA Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

390.4131

ALogP

3.17

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: OP=O.COC1=CC2=C(C=CN=C2C=C1)[C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C
  • InChIKey: CRMXWZRRPQRPEZ-DSXUQNDKSA-N
    1S/C20H24N2O2.H3O2P/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;1-3-2/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H2,(H,1,2)/t13-,14-,19-,20+;/m0./s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL170   ChEMBL
quinine

CHEMBL2146083   ChEMBL
quinine bisulfate

CHEMBL2146088   ChEMBL
quinine dihydrochloride

CHEMBL2359966   ChEMBL
quinine sulfate

CHEMBL588046   ChEMBL
quinine hydrochloride

9GXO2WE49Z   NCATS
quinine hypophosphite *

26MX5YAL2R   NCATS
quinine tannate

6DY04L71DR   NCATS
quinine salicylate

71RQP5VD1S   NCATS
quinine valerate

A7V27PHC7A   NCATS
quinine

KAU4V10S2I   NCATS
quinine ascorbate

MC4F54ADXA   NCATS
quinine urea hydrochloride

ZP61X8C21F   NCATS
quinine glycerophosphate

Quinine   Wikipedia

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