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:50-23-7

MDL number:MFCD00011654

EINECS number:200-020-1

RTECS number:GM8925000

BRN number:1354819

PubChem number:24278466

Physical property data

1. Properties: White or off-white crystalline powder, odorless and bitter in taste. Deterioration when exposed to light

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 214-220℃ (decomposition);

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): 220

9. Ratio Optical rotation (º): [α]²⁵_D+157.5° (dioxane), +176° (chloroform), +162°-+169° (ethanol );

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit� (%, V/V): Undetermined

19. Solubility: Insoluble in water (H₂O: 100 mg/mL), hardly soluble in ether, slightly Soluble in chloroform, soluble in acetone and ethanol. Soluble in concentrated sulfuric acid and showing green fluorescence

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 95.57

2. Molar volume (cm³/mol): 281.3

3. Isotonic specific volume (90.2K ): 779.2

4. Surface tension (dyne/cm): 58.8

5. Polarizability (10-24cm3): 37.88

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 15

6. Topological molecule polar surface area 94.8

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 684

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 7

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

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

It can be separated from the adrenal gland fluid, or it can be made from 17α-hydroxyflavone as raw material through a series of reactions.

Purpose

Mainly used to rescue critical toxic infections; treat meningitis, pleurisy, arthritis, tenosynovitis, sprains, muscle strains, etc. It can also be used for rheumatoid arthritis, rheumatic fever, bronchial asthma, gout, atopic dermatitis, and itching. In addition, it can also be used for keratitis, scleritis, conjunctivitis, iridocyclitis, etc.

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