Preferred Name |
amodiaquine |
|
Synonyms |
Amodiaquine 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol amodiaquina amodiaquine amodiaquinum |
|
Definitions |
A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_2674 |
|
charge |
0 |
|
database_cross_reference |
PMID:11971651 PMID:17046445 PDBeChem:CQA Drug_Central:186 DrugBank:DB00613 PMID:18855526 Wikipedia:Amodiaquine Reaxys:300962 PMID:19024339 PMID:11044276 PMID:26735991 Beilstein:300962 PMID:19245687 PMID:26206402 PMID:8885219 PMID:26930583 PMID:17222819 PMID:27031231 LINCS:LSM-4042 PMID:26597254 Patent:US2474821 CAS:86-42-0 KEGG:C07626 PMID:18419816 PMID:26851641 PMID:26647924 PMID:26900802 KEGG:D02922 |
|
definition |
A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. |
|
formula |
C20H22ClN3O |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_149553 http://purl.obolibrary.org/obo/CHEBI_35475 http://purl.obolibrary.org/obo/CHEBI_88188 http://purl.obolibrary.org/obo/CHEBI_110725 |
|
has_exact_synonym |
Amodiaquine 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
amodiaquina amodiaquine amodiaquinum |
|
id |
CHEBI:2674 |
|
in_subset | ||
inchi |
InChI=1S/C20H22ClN3O/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) |
|
inchikey |
OVCDSSHSILBFBN-UHFFFAOYSA-N |
|
is conjugate base of | ||
label |
amodiaquine |
|
mass |
355.86100 |
|
monoisotopicmass |
355.14514 |
|
notation |
CHEBI:2674 |
|
prefLabel |
amodiaquine |
|
smiles |
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_36709 http://purl.obolibrary.org/obo/CHEBI_33853 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_36709 http://purl.obolibrary.org/obo/CHEBI_33853 |