Chloroquine Diphosphate Chloroquine Diphosphate
Structural formula
| Business number | 013Y |
|---|---|
| Molecular formula | C18H26N3Cl·2H3PO4 |
| Molecular weight | 515.86 |
| label |
7-Chloro-4-(4-diethylamino-1-methylbutylamino)quinoline diphosphate, Quinoline chloride phosphate, Chloroquine Phosphate, Chloroquine diphosphate, Chloroquine diphosphate, (+/-)-Chloroquine Diphosphate, (+/-)-Chloroquine Diphosphate Salt, Chloroquine bis(phosphate), 1,4-Pentanediamine,N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-,phosphate (1:2), N4-(7-Chloro-4-quinolinyl)-N1,N1 |
Numbering system
CAS number:50-63-5
MDL number:MFCD00069852
EINECS number:200-055-2
RTECS number:VB2450000
BRN number:4223142
PubChem number:24278090
Physical property data
1. Character:Colorless crystal. Bitter
2. Density (g/mL ,25/4℃): Undetermined
3. Relative vapor density (g /mL,AIR= 1): Undetermined
4. Melting point (ºC):193～195℃(215～218℃) .
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC, 5.2 kPa): Undetermined
7. Refractive index:Undetermined
8. Flash point (ºC): Undetermined
9. Specific optical rotation (º ): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
16. Oil and water (octanol/ Log value of partition coefficient for water: undetermined
17. Explosion limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility:Easily soluble in water (1%Aqueous solutionpHapproximately4.5, less soluble when neutral or alkaline). Almost insoluble in ethanol, benzene, chloroform and ether.
Toxicological data
None
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 7
3. Number of hydrogen bond acceptors: 11
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: 3
6. Topological molecule polar surface area 184
7. Number of heavy atoms: 32
8. Surface charge: 0
9. Complexity: 359
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 3
Properties and stability
None
Storage method
This product is sealed and stored in a dry place away from light.
Synthesis method
4,7-Chloroquinoline and2-Amino -5Condensation of diethylaminopentane gives chloroquine .
Purpose
Used as an antimalarial drug.
>Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 7
3. Number of hydrogen bond acceptors: 11
4. Number of rotatable chemical bonds: 8
5. Number of tautomers: 3
6. Topological molecule polar surface area 184
7. Number of heavy atoms: 32
8. Surface charge: 0
9. Complexity: 359
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 3
Properties and stability
None
Storage method
This product is sealed and stored in a dry place away from light.
Synthesis method
4,7-Chloroquinoline and2-Amino -5Condensation of diethylaminopentane gives chloroquine .
Purpose
Used as an antimalarial drug.