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.