Structural formula
| Business number | 015V |
|---|---|
| Molecular formula | C21H28O5 |
| Molecular weight | 360.44 |
| label |
11-dehydro-17-hydroxycorticosterone, Adrenocorticotropic hormone, 17?,21-Dihydroxy-4-pregnene-3,11,20-trione, 4-Pregnene-17?,21-diol-3,11,20-trione, Medical use |
Numbering system
CAS number:53-06-5
MDL number:MFCD00003610
EINECS number:200-162-4
RTECS number:GM9020000
BRN number:1356062
PubChem number:24278304
Physical property data
1. Properties: White crystalline powder. The secretion of the adrenal glands.
2. Density (g/mL, 25/4?): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 220~224? (partial decomposition).
5. Boiling point (ºC, normal pressure): Not determined
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): [?]D25 +209° (C=1.2, 95% ethanol Medium), [?]54625 +269° (C=0.125, in benzene)
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil-water (octanol/water) partition coefficient Log value: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol, acetone, and cold methanol, rarely soluble in ether, benzene and chloroform, slightly soluble in water (25?, 28mg/100ml), the aqueous solution is neutral. It appears as a deep red solution in concentrated sulfuric acid with dark green fluorescence. Heating can reduce Benedict’s solution.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 94.17
2. Molar volume (cm3/mol): 280.3
3. Isotonic specific volume (90.2K ): 769.4
4. Surface tension (dyne/cm): 56.7
5. Polarizability (10-24cm3): 37.33 p>
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 45
6. Topological molecular polar surface area (TPSA): 91.7
p>
7. Number of heavy atoms: 26
8. Surface charge: 0
9. Complexity: 724
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 6
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond configuration Number of centers: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Stable properties under normal temperature and pressure
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
1. It can be separated from adrenal gland extract, and can also be prepared from bile acid and yam saponin.
Purpose
1. Mainly used for replacement treatment of adrenal insufficiency, but now hydrocortisone has been given priority for this disease. Because cortisone itself is inactive and must first be converted into hydrocortisone in the liver, certain liver diseases will affect the reliability of its action.
2.The medicine is easily absorbed by the skin and is used for the physical therapy of acute and chronic eczema, pruritus and various dermatitis. It is also used in lotions, creams and hair tonics to regulate the balance of electrolytes and water in the body, as well as the metabolism of sugar and protein. It has anti-inflammatory, anti-allergic and anti-granulation effects.
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