A1H5D
Summary
| Name: | Hydroxychloroquine |
| Synonyms: | 2-[[(4~{R})-4-[(7-chloranylquinolin-4-yl)amino]pentyl]-ethyl-amino]ethanol |
| Formula: | C18 H26 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 335.872 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(4~{R})-4-[(7-chloranylquinolin-4-yl)amino]pentyl]-ethyl-amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/t14-/m1/s1 |
| InChIKey | InChI | 1.06 | XXSMGPRMXLTPCZ-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CCO)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 |
| SMILES | CACTVS | 3.385 | CCN(CCO)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl)CCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CCCC(C)Nc1ccnc2c1ccc(c2)Cl)CCO |
