veratridine veratridine

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: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

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

7. refractive index: uncertain

8. flash point (ºc): uncertain

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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.