Prednisolone acetate – Pu catalyst

Structural formula

Business number	015E
Molecular formula	C23H30O6
Molecular weight	402.49
label	Prednisolone acetate, prednisone acetate, Dehydrohydrocortisone acetate, 11b,17a,21-Trihydroxypregnant-1,4-diene-3,20-dione-21-acetate, Prednisolone acetate, dehydrocortisol acetate, Predsolone acetate, dehydrocortisol acetate, 21-Acetoxy-1,4-pregnadiene-11β,17α-diol-3,20-dione, Prednisolone 21-acetate, 11β,17α,21-Trihydroxy-1,4-pregnadiene-3,20-dione 21-acetate, 1,4-Pregnadiene-11β,17α,21-

Numbering system

CAS number:52-21-1

MDL number:MFCD00037710

EINECS number:200-134-1

RTECS number:TU4152500

BRN number:3111798

PubChem number:24898962

Physical property data

1. Properties: colorless crystalline powder. Odorless. Bitter taste.

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

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

4. Melting point (ºC): 237-239

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

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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

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

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Insoluble in water, soluble in ethanol, Slightly soluble in chloroform and acetone.

Toxicological data

1. Acute toxicity: rat subcutaneous LD50: >240mg/kg; mouse subcutaneous LD50: 3500mg/kg 2. Reproductive toxicity: female rat oral TDLo: 1800mg/kg, conception occurs after 2-19 days; femaleRat subcutaneous TDLo: 96g/kg, conception occurs after 11 days; Intravenous TDLo for female mice: 96mg/kg, conception occurs after 11-14 days

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 105.06

2. Molar volume (cm³/mol): 312.5

3. Isotonic specific volume (90.2K ): 855.5

4. Surface tension (dyne/cm): 56.1

5. Polarizability (10-24cm3): 41.65

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 6

6. Topological molecule polar surface area 101

7. Number of heavy atoms: 29

8. Surface charge: 0

9. Complexity: 827

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 yet

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

It can be produced by dehydrogenating hydrocortisone acetate using microorganisms or selenium dioxide

Purpose

Applicable to rheumatoid arthritis, rheumatic fever, lupus erythematosus, scleroderma, dermatomyositis, acute lymphoblastic leukemia, etc.