Proadifen hydrochloride Proadifen hydrochloride
Structural formula
| Business number | 01CJ |
|---|---|
| Molecular formula | C23H31NO2·HCl |
| Molecular weight | 389.96 |
| label |
α-Phenyl-α-propylphenylacetate-2-(diethylamino)ethyl ester; N,N-diethylaminoethyl-2,2-diphenylvalerate; SKF-525A, N,N-Diethylaminoethyl 2,2-diphenylvalerate, SKF-525A, α-Phenyl-α-propylbenzeneacetic acid 2-(diethylamino)ethyl ester |
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.