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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: | anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. 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). 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. |
| Applications: | antirheumatic drug A drug used to treat rheumatoid arthritis. 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. |
| 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 |