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CHEBI:39254 - (S)-chloroquine
| Formula | C18H26ClN3 |
| Net Charge | 0 |
| Average Mass | 319.880 |
| Monoisotopic Mass | 319.18153 |
| SMILES | CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12 |
| InChI | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m0/s1 |
| InChIKey | WHTVZRBIWZFKQO-AWEZNQCLSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. autophagy inhibitor Any compound that inhibits the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. |
| Applications: | dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antirheumatic drug A drug used to treat rheumatoid arthritis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (S)-chloroquine (CHEBI:39254) is a chloroquine (CHEBI:3638) |
| (S)-chloroquine (CHEBI:39254) is enantiomer of (R)-chloroquine (CHEBI:48811) |
| Incoming Relation(s) |
| (R)-chloroquine (CHEBI:48811) is enantiomer of (S)-chloroquine (CHEBI:39254) |
| IUPAC Name |
|---|
| (4S)-N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine |
| Synonyms | Source |
|---|---|
| (+)-chloroquine | ChemIDplus |
| (+)-N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:7517230 | Beilstein |
| CAS:58175-86-3 | ChemIDplus |