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:50-24-8

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): Not determined

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

p>

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.

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