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

Prednisolone Acetate

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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
  • (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
  • 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, 11«beta»,17,21-trihydroxy-, 21-acetate
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11«beta»)-
  • 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
Δf -423.10 kJ/mol Joback Calculated Property
Δfgas -968.40 kJ/mol Joback Calculated Property
Δfus 35.81 kJ/mol Joback Calculated Property
Δvap 117.68 kJ/mol Joback Calculated Property
log10WS [-4.37; -4.37]   Show Hide
log10WS -4.37 Aq. Sol...
log10WS -4.37 Estimat...
logPoct/wat 2.128 Crippen Calculated Property
McVol 305.210 ml/mol McGowan Calculated Property
Pc 1795.46 kPa Joback Calculated Property
Tboil 1146.30 K Joback Calculated Property
Tc 1403.40 K Joback Calculated Property
Tfus 788.10 K Joback Calculated Property
Vc 1.149 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1273.90; 1623.21] J/mol×K [1146.30; 1403.40] Show Hide
Cp,gas 1273.90 J/mol×K 1146.30 Joback Calculated Property
Cp,gas 1319.57 J/mol×K 1189.15 Joback Calculated Property
Cp,gas 1369.55 J/mol×K 1232.00 Joback Calculated Property
Cp,gas 1424.36 J/mol×K 1274.85 Joback Calculated Property
Cp,gas 1484.55 J/mol×K 1317.70 Joback Calculated Property
Cp,gas 1550.66 J/mol×K 1360.55 Joback Calculated Property
Cp,gas 1623.21 J/mol×K 1403.40 Joback Calculated Property
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

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. Dexamethasone-21-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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