Structural formula

Business number	015T
Molecular formula	C21H26O5
Molecular weight	358.43
label	prednisone tablets, 17α,21-dihydroxy-1,4-pregnadiene-3,11,20-trione, Dehydroadrenocorticoid hormone, dehydrocortisone, prednisone, dehydrocortisone, 1,4-Pregnadiene-17α,21-diol-3,11,20-trione, 1-Cortisone, 17α,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione, Dehydrocortisone

• 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:53-03-2

MDL number:MFCD00003608

EINECS number:200-160-3

RTECS number:TU4154100

BRN number:2065301

PubChem number:24898748

Physical property data

1. Characteristics: White or off-white crystalline powder. Odorless. Slightly persistent bitterness

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

3. Relative steam Density (g/mL,AIR=1): Undetermined

4. Melting point ( oC):233～235

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

6. Boiling point ( oC, 13.33kpa):

7. Refractive index: Undetermined

8. Flashpoint (oC): Undetermined

9. Specific optical activity Degree (o, C=1, DIOXANE): 172

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

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

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

13. Burning heat (KJ/mol): Undetermined

14. Critical temperature (oC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water ( Octanol/Log value of water) partition coefficient: Undetermined

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

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

19. Solubility ：1gThe product dissolves in approximately150mlEthanol, about200ml Chloroform, Slightly soluble in methanol and dioxane, very slightly soluble in water.

Toxicological data

1, acute toxicity: For women, TDLo: 2400ug/kg/2D-I; for men, TDLo: 857ug/kg; Men take oral LDLo: 400ug/kg;FemaleTDLo:113mg/kg;
Mouse abdominal cavityLD50: 135 mg/kg; Mouse subcutaneous LD50: 101 mg/kg; mouse intramuscular LD50: 600 mg/kg

2, carcinogenicity: rat abdominal cavity TDLo: 860mg/kg/26W-I

3, reproductive toxicity: female mice subcutaneous TDLo: 24mg/kg, 13 -18The Queen Conceives

4, mutagenic microorganismsTEST system: bacteria –Salmonella typhimurium: 3333ug/plate;
MutationmicroorganismsTESTSystem: Bacteria – Salmonella Typhimurium: 333ug/plate;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 94.08

2. Molar volume (m³/mol）：273.6

3. isotonic ratio(90.2K)：757.0

4. Surface Tension(dyne/cm)：58.5

5. Polarizability(10-24cm³)???37.29

Compute chemical data

1. Reference value for hydrophobic parameter calculation (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: 27

6. Topological molecular polar surface area (TPSA):91.7

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 764

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Mainly used for various acute severe bacterial infections, severe allergic diseases, collagen diseases (lupus erythematosus, nodular periarteritis, etc.), rheumatism, rheumatoid arthritis , nephrotic syndrome, severe bronchial asthma, thrombocytopenic purpura, granulocytopenia, acute lymphoblastic leukemia, various adrenocortical insufficiency, exfoliative dermatitis, pemphigus, neurodermatitis, eczema, etc.

Synthesis method

Made from cortisone as raw material.

Purpose

Mainly used for various acute severe bacterial infections, severe allergic diseases, collagen diseases (lupus erythematosus, nodular periarteritis, etc.), rheumatism, rheumatoid arthritis, nephrotic syndrome, severe bronchial asthma, platelet Reducing purpura, granulocytopenia, acute lymphoblastic leukemia, various adrenocortical insufficiencies, exfoliative dermatitis, pemphigus, neurodermatitis, eczema, etc.

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