| CAS Number | 14142-64-4 |
| Catalog Number | AG007ZEE(AGN-PC-07Y4GF) |
| Chemical Name | Cletoquine (oxalate) |
| IUPAC Name | 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol;oxalic acid |
| InChI | InChI=1S/C16H22ClN3O.C2H2O4/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16;3-1(4)2(5)6/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20);(H,3,4)(H,5,6) |
| InChI Key | DTVGVTDECKJJJK-UHFFFAOYSA-N |
| MDL Number | MFCD18252381 |
| Molecular Formula | C18H24ClN3O5 |
| Molecular Weight | 397.8533 |
| SMILES | C(O)CNCCCC(NC1C2C(N=CC=1)=CC(Cl)=CC=2)C.C(O)(=O)C(O)=O |
| Synonyms | Cletoquine Oxalate,
14142-64-4,
CTK8F8716,
DTXSID80675770,
AKOS030255879,
ACM14142644,
(+/-)-Desethylhydroxychloroquine Oxalate,
FT-0665091,
J-007497,
2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]amino]ethanol Oxalate,
Oxalic acid--2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}amino)ethan-1-ol (1/1),
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.856g/mol |
| Monoisotopic Mass | 397.14g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 132A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number