structural formula
| business number | 01gn |
|---|---|
| molecular formula | c36h51no11 |
| molecular weight | 673.8 |
| label |
veratrine i, 3-veratroylveracevine |
numbering system
cas number:71-62-5
mdl number:mfcd00082515
einecs number:200-758-4
rtecs number:yx5600000
brn number:none
pubchem number:24900756
physical property data
1. properties: light yellow amorphous powder, strong water holding capacity
2. density (g/ml, 25/4℃): uncertain
3. relative vapor density (g/ml, air=1): uncertain
4. melting point (ºc): 180
5. boiling point (ºc, normal pressure): uncertain
p>
6. boiling point (ºc, 5.2 kpa): uncertain
7. refractive index: uncertain
8. flash point (ºc): uncertain
p>
9. specific optical rotation (º): +8.0°, c=1, ethanol
10. autoignition point or ignition temperature (ºc): uncertain
11. vapor pressure (kpa, 25 ºc): uncertain
12. saturated vapor pressure (kpa, 60 ºc): uncertain
13. heat of combustion (kj/mol ): uncertain
14. critical temperature (ºc): uncertain
15. critical pressure (kpa): uncertain
16. oil and water (polymer) log value of the partition coefficient (alcohol/water): uncertain
17. explosion upper limit (%, v/v): uncertain
18. explosion lower limit (%, v/v ): uncertain
19. solubility: usually insoluble in water, slightly soluble in ether; soluble in ethanol (ethanol: 50 mg/ml)
toxicological data
acute toxicity: rat intraperitoneal ld50: 3500 ug/kg; mouse intraperitoneal ld50: 1350 ug/kg; mouse subcutaneous injection ld50: 6300 ug/kg; dog intravenous ldlo: 19 mg/kg;
ecological data
none
molecular structure data
1. molar refractive index: 171.44
2. molar volume (cm3/mol): 462.3
3. isotonic specific volume (90.2k ): 1370.4
4. surface tension (dyne/cm): 77.1
5. polarizability (10-24cm3): 67.96
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1
2. number of hydrogen bond donors: 6
3. number of hydrogen bond acceptors: 12
4. number of rotatable chemical bonds: 5
5. topological molecular polar surface area (tpsa): 179
6. number of heavy atoms: 48
7. surface charge: 0
8. complexity: 1340
9. number of isotope atoms: 0
10. determine the number of atomic stereocenters: 14
11. the number of uncertain atomic stereocenters: 0
12. the number of determined chemical bond stereocenters: 0
13. the number of uncertain chemical bond stereocenters: 0
14. number of covalent bond units: 1
properties and stability
none
storage method
this product should be stored in a sealed, cool, dry and away from light
synthesis method
none
purpose
biochemical research. its biological effects are to activate na+ channels; increase intracellular ca2+ concentration; change the electrical state of receptors in muscle tissue and block the response of muscles to nerve impulses. it has the effect of lowering blood pressure and has insecticidal effect.
