Chemical Properties of Prednisone (CAS 53-03-2)

Prednisone

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InChI
InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14?,15?,18?,19?,20?,21-/m1/s1
InChI Key
XOFYZVNMUHMLCC-NUBBXXJJSA-N
Formula
C21H26O5
SMILES
CC12CC(=O)C3C(CCC4=CC(=O)C=CC43C)C1CCC2(O)C(=O)CO
Molecular Weight1
358.43
CAS
53-03-2
Other Names
  • 1,2-Dehydrocortisone
  • 1,4-Pregnadiene-17«alpha»,21-diol-3,11,20-trione
  • 1-Dehydrocortisone
  • 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
  • 17«alpha»,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione
  • Adasone
  • Ancortone
  • Bicortone
  • Cartancyl
  • Colisone
  • Cortan
  • Cortidelt
  • Cotone
  • Dacortin
  • Decortancyl
  • Decortin
  • Decortisyl
  • Dehydrocortisone
  • Dekortin
  • Delta-Cortelan
  • Delta-Dome
  • Delta-E
  • Deltacortisone
  • Deltacortone
  • Deltasone
  • Deltison
  • Deltisona
  • Deltisone
  • Deltra
  • Di-Adreson
  • Encorton
  • Encortone
  • Enkorton
  • Fernisone
  • Hostacortin
  • In-Sone
  • Juvason
  • Lisacort
  • Metacortandracin
  • Meticorten
  • NCI-C04897
  • NSC 10023
  • Nurison
  • Orasone
  • Panafcort
  • Paracort
  • Prednicen-M
  • Prednilonga
  • Prednison
  • Prednizon
  • Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-
  • Rectodelt
  • SK-Prednisone
  • Servisone
  • Sterapred
  • Supercortil
  • U 6020
  • Ultracorten
  • Ultracortene
  • Winpred
  • Wojtab
  • Zenadrid
  • «DELTA»-Cortisone
  • «DELTA»1-Cortisone
  • «DELTA»1-Dehydrocortisone
Sources

Physical Properties

Property Value Unit Source
Δf -320.90 kJ/mol Joback Calculated Property
Δfgas -799.68 kJ/mol Joback Calculated Property
Δfus 26.28 kJ/mol Joback Calculated Property
Δvap 108.62 kJ/mol Joback Calculated Property
logPoct/wat 1.77 Crippen Calculated Property
Pc 2171.40 kPa Joback Calculated Property
Tboil 1096.74 K Joback Calculated Property
Tc 1347.58 K Joback Calculated Property
Tfus 765.86 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1103.96 J/mol×K 1096.74 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 2
=CH- (ring) 3
-OH (alcohol) 2
=C< (ring) 1
-CH2- 1
-CH3 2
>C< (ring) 3
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 5

Similar Compounds

17Alpha,21-dihydroxypregna-1,4-diene-3,20-dione. Cortisone. Prednisolone. Methylprednisolone. 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate. Cortisone Acetate. 17Alpha,21dihydroxy progesterone. 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate. 6Alpha-fluoro-17alpha-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione. 17«alpha»-Hydroxyprogesterone. 17«alpha»-Hydroxyprogesterone. 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. Hydrocortisone. 14Alpha,21-dihydroxypregn-4-ene-3,20-dione. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione.

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