| CAS Number | 1449223-88-4 |
| Catalog Number | AG01CBM6(AGN-PC-0WP0W8) |
| Chemical Name | Hydroxychloroquine N-Oxide |
| IUPAC Name | 4-[(7-chloroquinolin-4-yl)amino]-N-ethyl-N-(2-hydroxyethyl)pentan-1-amine oxide |
| InChI | InChI=1S/C18H26ClN3O2/c1-3-22(24,11-12-23)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) |
| InChI Key | OZFRZWJEVUVFPM-UHFFFAOYSA-N |
| MDL Number | MFCD32647087 |
| Molecular Formula | C18H26ClN3O2 |
| Molecular Weight | 351.8709 |
| SMILES | CC[N+]([O-])(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 |
| Synonyms | Hydroxychloroquine-N-Oxide,
1449223-88-4,
2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]ethyloxidoamino]-ethanol; 4-((7-chloroquinolin-4-yl)amino)-N-ethyl-N-(2-hydroxyethyl)pentan-1-amine oxide,
Hydroxychloroquine N-Oxide,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.171355g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.9g/mol |
| Monoisotopic Mass | 351.171355g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 63.2Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number