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.
