CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | WHITE TO SLIGHTLY YELLOW, CRYSTALLINE POWDER |
| Odor | ODORLESS |
| Taste | Bitter taste |
| Melting Point | 87-89.5 |
| Solubility | Bitter colorless crystals, dimorphic. Freely soluble in water, less sol in neutral or alkaline pH. Stable to heat in soln pH4 to 6.5. Practically in soluble in alcohol, benzene and chloroform /Diphosphate/ |
| LogP | 4.63 |
| Stability/Shelf Life | Stable to heat in solutions of pH 4.0 to 6.5 /Chloroquine Diphosphate/ |
| Dissociation Constants | 10.1 |
| Collision Cross Section | 176.8 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2600 2610 2630 2637 2660 2578.2 2590 2660 2642.7 |
| Other Experimental Properties | USUALLY IS IN A PARTLY HYDRATED FORM |
COMPUTED DESCRIPTORS
| Molecular Weight | 319.9 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 319.1815255 g/mol |
| Monoisotopic Mass | 319.1815255 g/mol |
| Topological Polar Surface Area | 28.2 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 309 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Chloroquine is an aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. It has a role as an antimalarial, an antirheumatic drug, a dermatologic drug, an autophagy inhibitor and an anticoronaviral agent. It is an aminoquinoline, a secondary amino compound, a tertiary amino compound and an organochlorine compound. It is a conjugate base of a chloroquine(2+).