for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Cletoquine Oxalate is a metabolite of Hydroxychloroquine.
| Canonical Smiles | CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl.C(=O)(C(=O)O)O |
|---|---|
| IUPAC Name | 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol;oxalic acid |
| InChIKey | DTVGVTDECKJJJK-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | CC(CCCNCCO)NC1=C2C=CC(=CC2=NC=C1)Cl.C(=O)(C(=O)O)O |
| PubChem CID | 46781036 |
| Molecular Weight | 397.85 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Aminoquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-aminoquinolines |
| Alternative Parents | Chloroquinolines Secondary alkylarylamines Aminopyridines and derivatives Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds 1,2-aminoalcohols Azacyclic compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organochlorides Organic oxides |
| Molecular Framework | Not available |
| Substituents | 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Secondary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Alkanolamine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Primary alcohol - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system. |
| External Descriptors | Not available |
| Solubility | Soluble in DMF and Methanol |
|---|---|
| Melt Point(°C) | >115°C (lit.)(dec.) |
| Molecular Weight | 397.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 397.14 Da |
| Monoisotopic Mass | 397.14 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
