Structural formula

Business number	0134
Molecular formula	C23H32O6
Molecular weight	404.5
label	Hydrocortisone-21-acetate, hydrocortisone acetate, hydrocortisone acetate, ifosfamide, Hydrocorticosterone acetate, Acetate Hydrogenated Adrenocortical Hormone, 21-Hydrocortisone acetate, Cortisol acetate, Hydrocortisone-21-acetate, Cortisol 21-acetate, 21-Acetoxy-4-pregnene-11b,17a-diol-3,20-dione, 17-α-Hydroxycorticosterone acetate, 17-Hydroxycorticosterone 21-acetate, 21-Acetoxy-4-pregnene-11β, 17α-diol-3,20-dione, 4-Pregnene-11β, 17α,21-triol-3,20-dione 21-acetate, 11β, hormone, antirheumatic drugs, anti-inflammatory drugs

• 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:50-03-3

MDL number:MFCD00037714

EINECS number:200-004-4

RTECS number:GM8960000

BRN number:2066841

PubChem number:24895620

Physical property data

1. Properties: White or off-white crystalline powder, odorless

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

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

4. Melting point (ºC): 222-225°C.

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): 223

9. Specific rotation (º): [α]²⁵_D+166°

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

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

18. Explosion lower limit (%, V/V): Undetermined

19. Dissolution.��：Undetermined

Toxicological data

Acute toxicity: Rat subcutaneous LDL0: 250 mg/kg; mouse abdominal LD50: 2300 mg/kg; mouse subcutaneous LD50: 45050 ug/kg.

2. Subacute toxicity

Rat subcutaneous oral TDL0: 175 mg/kg/35D-I

3. Teratogenicity: mouse test : 60 mg/kg, DNA damage; 150 mg/kg, gene mutation.

4. Reproductive toxicity

Rat TDLo: 1 mg/kg, fetal growth retardation; Rat TDLo: 1500 mg/kg, fetal death;

Rat abdominal TDLo: 2 mg/kg, embryonic death; Rat subcutaneous TDLo: 350 mg/kg, fetal growth retardation

Mouse caliber TDLo: 125 mg/kg, fetal growth retardation; small Mouse subcutaneous TDLo: 250 mg/kg, fetal death;

Mouse subcutaneous TDLo: 75 mg/kg, fetal development retardation; Mouse subcutaneous TDLo: 84 mg/kg, fetal development retardation

Mouse muscle TDLo: 64mg/kg, little effect; mouse muscle TDLo: 320mg/kg; malformation

Mouse intestinal TDLo: 200 mg/kg;

Rabbit caliber TDLo: 13 mg/kg

Pig muscle TDLo: 100 mg/kg

Ecological data

Other harmful effects: This substance is harmful to the environment and special attention should be paid to water bodies. are hazardous items.

Molecular structure data

1. Molar refractive index: 103.75

2. Molar volume (cm³/mol): 318.1

3. Isotonic specific volume (90.2K ): 858.0

4. Surface tension (dyne/cm): 52.8

5. Polarizability (10-24cm3): 41.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

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: 10

6. Topological molecular polar surface area (TPSA): 101

7. Number of heavy atoms: 29

8. Surface charge: 0

9. Complexity: 786

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

White or off-white crystalline powder, odorless. Mp218-221.5℃; Specific optical rotation [α] 25D+166° (dioxane); ethanol solution has maximum absorption at the wavelength of 240nm. Insoluble in water, slightly soluble in ethanol (1:230) and chloroform (1:150), hardly soluble in ether.

Storage method

Store at 0-6 ºC in a dark, sealed container.

Synthesis method

Using C3-C5 aliphatic ketone as solvent, adding a certain amount of acetate, it is synthesized from hydrocortisone, acetic acid and acetic anhydride.

Purpose

Mainly used to treat rheumatoid arthritis, rheumatic fever, gout, bronchial asthma, etc. Injections are used for tuberculous or purulent meningitis, tuberculous pleurisy, empyema, arthritis, tenosynovitis, tendon strain, sprain, nodular prurigo, lichen planus, etc. Eye drops are used for various types of ophthalmia. Creams are used for allergic or seborrheic dermatitis, pruritus, etc.

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