Structural formula
Business number | 013C |
---|---|
Molecular formula | C21H28O5 |
Molecular weight | 360.44 |
label |
Prednisolone, Prednisone, Dehydrohydrocortisone, Hydrodeltalone, Hydrodeltisone, Hydroretrocortin, Metacortandralone, Meticortelone, Meti-Derm, Paracortol, Paracotol, Precortancyl, Precortisyl, Predne-dome, Prednelan, Prednis, Predonin, Predonine |
Numbering system
CAS number:50-24-8
MDL number:MFCD00003649
EINECS number:200-021-7
RTECS number:TU4152000
BRN number:1354103
PubChem number:24898725
Physical property data
1. Properties: White hygroscopic powder, odorless, bitter taste
2. Density (g/mL, 25/4℃): Undetermined
3. Relative Vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 240 °C (dec.)(lit.)
5. Boiling point (ºC) ºC, normal pressure): Not determined
6. Boiling point (ºC, 5.2 kPa): Not determined
7. Refractive index: 100 ° (C=1, Dioxane)
p>
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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
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16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined
17. The upper limit of explosion (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in ethanol, chloroform, propanol, methanol, dioxane, slightly soluble in water
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 95.48
2. Molar volume (cm3/mol): 274.7
3. Isotonic specific volume (90.2K ): 766.8
4. Surface tension (dyne/cm): 60.7
5. Polarizability (10-24cm3): 37.85
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.6
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: 9
6. Topological molecular polar surface area (TPSA): 94.8
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: 7
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
None
Storage method
This product should be sealed and stored in a dry place away from light.
Synthesis method
This product can be obtained by elimination of hydrocortisone (dehydrogenation of Arthrobacter biomass).
Purpose
It is suitable for rheumatoid arthritis, rheumatic fever, lupus erythematosus, dermatomyositis, multiple myeloma, etc. It can also be used to prepare hydrogenated prednisone acetate.