Cletoquine Oxalate
Basic information
- CAS
14142-64-4- Standard SMILES
CC(CCCNCCO)Nc1ccnc2cc(Cl)ccc12.O=C(O)C(=O)O- InChIKey
DTVGVTDECKJJJK-UHFFFAOYSA-N- Molecular formula
- C18H24ClN3O5
- Average molar mass
- 397.9 g/mol
- Monoisotopic mass
- 397.1404486
Names & identifiers
- Preferred name
- Cletoquine Oxalate
- IUPAC
- 2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol;oxalic acid
- English name
- Cletoquine Oxalate
- Molecular formula
- C18H24ClN3O5
- Molecular weight
- 397.85326
Names & synonyms
Cletoquine Oxalate14142-64-4Cletoquine (oxalate)2-[4-[(7-chloroquinolin-4-yl)amino]pentylamino]ethanol;oxalic acidDesethylhydroxychloroquine (oxalate)starbld0000859C18H24ClN3O5orb1710031DTXSID80675770MFCD18252381AKOS030255879HY-135810A
Show more names
(+/-)-Desethylhydroxychloroquine Oxalate2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]amino]ethanol Oxalate
T10835LHydroxychloroquine EP Impurity C OxalateDA-51960MS-26721CS-0114409G139512-[4-[(7-chloro-4-quinolyl)amino]pentylamino]ethanol;oxalic acidOxalic acid--2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}amino)ethan-1-ol (1/1)
Database identifiers
- CAS
14142-64-4- PubChem CID
- 46781036
- DTXSID
DTXSID80675770
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 115 °C · >115°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- color
- Pale Yellow to Yellow
- Stability
- Hygroscopic
- CAS DataBase Reference
- 14142 · 14142-64-4
- FDA UNII
- 4 ZBG3ZAA · FP4ZBG3ZAA
Chemistry & industry
Applications
UsesCletoquine Oxalate is a metabolite of Hydroxychloroquine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…