Furanochromone Khellin
Structural formula
| Business number | 01SN |
|---|---|
| Molecular formula | C14H12O5 |
| Molecular weight | 260.25 |
| label |
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one |
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.
