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CHEBI:50652 - amodiaquine hydrochloride

ChEBI IDCHEBI:50652
ChEBI Nameamodiaquine hydrochloride
Stars
Last Modified23 April 2020
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.C20H22ClN3O.2Cl.2H2O
Net Charge0
Average Mass464.821
Monoisotopic Mass463.11962
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.O.O.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2
InChIKeyYVNAYSHNIILOJS-UHFFFAOYSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
amodiaquine hydrochloride (CHEBI:50652) has part amodiaquine (CHEBI:2674)
amodiaquine hydrochloride (CHEBI:50652) has role anticoronaviral agent (CHEBI:149553)
amodiaquine hydrochloride (CHEBI:50652) is a hydrochloride (CHEBI:36807)
IUPAC Name 
4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol dihydrochloride dihydrate
Synonym  Source
Amodiaquin dihydrochloride dihydrateChemIDplus
Brand Name  Source
FlavoquineDrugBank
Manual XrefsDatabases
D02466KEGG DRUG
DB00613DrugBank
Registry NumbersSources
CAS:6398-98-7ChemIDplus