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> Main
CHEBI:50652 - amodiaquine hydrochloride
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ChEBI Ontology
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ChEBI Name
amodiaquine hydrochloride
ChEBI ID
CHEBI:50652
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C20H22ClN3O.2HCl.2H2O
C20H28Cl3N3O3
Net Charge
0
Average Mass
464.81284
Monoisotopic Mass
463.11962
InChI
InChI=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
InChIKey
YVNAYSHNIILOJS-UHFFFAOYSA-N
SMILES
[H+].[H+].O.O.[Cl-].[Cl-].CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Roles Classification
Biological Role
(s):
anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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 dihydrate
ChemIDplus
Brand Name
Source
Flavoquine
DrugBank
Manual Xrefs
Databases
D02466
KEGG DRUG
DB00613
DrugBank
View more database links
Registry Number
Type
Source
6398-98-7
CAS Registry Number
ChemIDplus
Last Modified
23 April 2020