furanochromone khellin

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:82-02-0

mdl number:mfcd00005007

einecs number:201-392-8

rtecs number:lv1050000

brn number:263185

pubchem id:none

physical property data

1. characteristics: colorless crystal. bitter

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g/ml,air=1): unsure

4. melting point (ºc): 154～155℃

5. boiling point (ºc,normal pressure): unsure
6. boiling point ( ºc): 180～200℃（6.666pa).

7. refractive index: uncertain

8. flashpoint (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

1, acute toxicity:

rat caliber ld50: 68800 ug/kg

rat abdominal cavity ld50: 70 mg/kg; rat intravenous ld50 ： 34400 ug/kg

mouse caliber ld50: 50800 ug/kg; mouse abdominal cavity ld50 : 155mg/kg; mouse intravenous ld50: 30600 ug/kg

mouse muscle ld50: 83mg/kg

2 , reproductive toxicity

rat subcutaneous tdl0: 3 gm/kg, effect on neonates; rat subcutaneous tdl0: 18 gm/kg, the effect is aggravated;

mouse subcutaneous tdl0: 60 gm/kg, developmental abnormalities; mouse subcutaneous tdl0: 30 gm/kg, affecting neonates;

ecological data

none yet

molecular structure data

1. molar refractive index: 67.94

2. molar volume (m³/mol）：199.9

3. isotonic specific volume (90.2k):519.3

4. surface tension (dyne/cm):45.4

5. polarizability（10^-24cm³):26.94

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 57.9

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 405

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed.

synthesis method

none yet

purpose

biochemical research. medical vasodilator.

: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>2. molar volume (m³/mol ): 199.9

3. isotonic specific volume (90.2k):519.3

4. surface tension (dyne/cm):45.4

5. polarizability（10^-24cm³):26.94

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 57.9

7. number of heavy atoms: 19

8. surface charge: 0

9. complexity: 405

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed.

synthesis method

none yet

purpose

biochemical research. medical vasodilator.

-family: arial; mso-font-kerning: 0pt”>biochemical research. medical vasodilator.