proadifen hydrochloride proadifen hydrochloride

structural formula

• 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:62-68-0

mdl number:mfcd00055151

einecs number:none

rtecs number:yv7175000

brn number:none

pubchem number:24278177

physical property data

1. appearance: white solid

2. density (g/ml, 25/4℃): uncertain

3. relative vapor density (g/ml, air =1): uncertain

4. melting point (ºc): 122-123

5. boiling point (ºc, normal pressure): uncertain

6 . boiling point (ºc, 5.2kpa): uncertain

7. refractive index: uncertain

8. flash point (ºc): uncertain

9 . specific rotation (º): uncertain

10. autoignition point or ignition temperature (ºc): uncertain

11. vapor pressure (kpa, 25ºc): uncertain

12. saturated vapor pressure (kpa, 60ºc): uncertain

13. heat of combustion (kj/mol): uncertain

14. critical temperature (ºc): uncertain

15. critical pressure (kpa): uncertain

16. log value of oil-water (octanol/water) partition coefficient: uncertain

17. explosion upper limit (%, v/v): uncertain

18. explosion lower limit (%, v/v): uncertain

19. solubility : easily soluble in water and ethanol.

toxicological data

acute toxicity: rat oral ld50: 2140 mg/kg; rat intraperitoneal ld50: 1630 mg/kg; mouse oral ld50: 538 mg/kg; mouse intraperitoneal ld50: 110 mg/kg; mouse intravenous ld50: 60 mg/kg; breeding: rat subcutaneous injection tdlo: 20 mg/kgsex/duration: female 4 day(s) pre-mating

ecological data

none yet

molecular structure data

1. molar refractive index: 106.96

2. molar volume (cm³/mol): 345.4

3. isotonic specific volume (90.2k ): 858.4

4. surface tension (dyne/cm): 38.1

5. polarizability (10^-24cm³): 42.40

compute chemical data

1.hydrophobic parameters��calculation reference value (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4 .number of rotatable chemical bonds: 11

5.number of tautomers: none

6.topological molecule polar surface area 29.5

7.heavy atoms number: 27

8. surface charge: 0

9. complexity: 375

10. number of isotope atoms: 0

11. determine the number of stereocenters of atoms: 0

12. determine the number of stereocenters of atoms: 0

13. determine the number of stereocenters of chemical bonds: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 2

properties and stability

none yet

storage method

this product should be sealed and stored in a cool, dry place. can be stored at room temperature for 1 year.

synthesis method

none yet

purpose

cytochrome inhibitor and calcium antagonist; stimulates the production of endothelial cells and inhibits the synthesis of platelet thromboxane.