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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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

11. Vapor pressure (kPa,25 ºC): Not OK

12. Saturated vapor pressure (kPa ,60 ºC): Undetermined

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): 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.

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