Chemical Properties of Prednisolone Acetate (CAS 52-21-1)

Prednisolone Acetate

InChI
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23+/m1/s1
InChI Key
LRJOMUJRLNCICJ-RJNDBBCYSA-N
Formula
C23H30O6
SMILES
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
Molecular Weight1
402.48
CAS
52-21-1
Other Names
  • (11«beta»)-21-(Acetyloxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione
  • 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, 21-acetate
  • 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate
  • 11«beta»,17«alpha»,21-Trihydroxypregna-1,4-diene-3,20-dione 21-acetate
  • Ak-Tate
  • Cormalone
  • Cortipred
  • Delcort-E
  • Deltilen
  • Durapred
  • Econopred
  • Hydroprednisone acetate
  • Inflanefran
  • Meticortelone acetate
  • Meticotelone acetate
  • NSC 10966
  • Nisolone
  • Pred Forte
  • Pred Forte TM
  • Pred Mild
  • Predalone 50
  • Prediacortine
  • Predicort
  • Prednelan-N
  • Prednidoren
  • Prednisolone 21-acetate
  • Predonine injection
  • Pregna-1,4-diene-3,20-dione, 11«beta»,17,21-trihydroxy-, 21-acetate
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11«beta»)-
  • Prenema
  • Pricortin
  • Sterane
  • Supercortyl
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Physical Properties

Property Value Unit Source
ΔfusH° 37.39 kJ/mol Joback Calculated Property
log10WS [-4.37; -4.37]   Show Hide
log10WS -4.37 Aq. Solubility Prediction
log10WS -4.37 Estimated Solubility
logPoct/wat 2.128 Crippen Calculated Property
McVol 305.210 ml/mol McGowan Calculated Property
Tfus 511.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH [38.67; 42.30] kJ/mol [511.00; 515.00] Show Hide
ΔfusH 38.67 kJ/mol 511.00 NIST
ΔfusH 42.30 kJ/mol 515.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [408.42; 1143.69] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.67109e+02
Coefficient B3.18606e+00
Coefficient C-2.91882e-03
Coefficient D1.14356e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 408.42 J/mol×K 273.00 Calculated Property
Cp,gas 545.37 J/mol×K 353.78 Calculated Property
Cp,gas 660.07 J/mol×K 434.56 Calculated Property
Cp,gas 756.13 J/mol×K 515.33 Calculated Property
Cp,gas 837.18 J/mol×K 596.11 Calculated Property
Cp,gas 906.82 J/mol×K 676.89 Calculated Property
Cp,gas 968.67 J/mol×K 757.67 Calculated Property
Cp,gas 1026.36 J/mol×K 838.44 Calculated Property
Cp,gas 1083.49 J/mol×K 919.22 Calculated Property
Cp,gas 1143.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

prednisolone-21-trimethylacetate. Prednisolone. Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. Methylprednisolone. Hydrocortisone acetate. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. hydrocortisone tebutate. Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate. Hydrocortamate. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. 21-Acetoxy-11beta,17alpha,20alpha-trihydroxypregna-1,4-dien-3-one. Pregna-1,4-dien-3-one, 11beta,17alpha,20,21-tetrahydroxy-, 21-acetate. Triamcinolone diacetate.

Find more compounds similar to Prednisolone Acetate.

Sources

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