| CAS Number | 47493-14-1 |
| Catalog Number | AG01E4J9(AGN-PC-0WP0EI) |
| Chemical Name | Quensyl-1-acetate |
| IUPAC Name | 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethyl acetate |
| InChI | InChI=1S/C20H28ClN3O2/c1-4-24(12-13-26-16(3)25)11-5-6-15(2)23-19-9-10-22-20-14-17(21)7-8-18(19)20/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,22,23) |
| InChI Key | YEVQTWFAUWKTAU-UHFFFAOYSA-N |
| MDL Number | MFCD27967248 |
| Molecular Formula | C20H28ClN3O2 |
| Molecular Weight | 377.9082 |
| SMILES | CCN(CCOC(C)=O)CCCC(NC1=CC=NC2=CC(Cl)=CC=C12)C |
| Synonyms | O-Acetylhydroxychloroquine,
47493-14-1,
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethyl acetate,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.913g/mol |
| Monoisotopic Mass | 377.187g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number