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

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

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
(11Â«betaÂ»)-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
11Â«betaÂ»,17Â«alphaÂ»,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, 11Â«betaÂ»,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-, (11Â«betaÂ»)-
Prenema
Pricortin
Sterane
Supercortyl

C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	-423.10	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-968.40	kJ/mol	Joback Calculated Property
Δ_fusH°	35.81	kJ/mol	Joback Calculated Property
Δ_vapH°	117.68	kJ/mol	Joback Calculated Property
log₁₀WS	[-4.37; -4.37]
log₁₀WS	-4.37		Aq. Sol...
log₁₀WS	-4.37		Estimat...
logP_oct/wat	2.128		Crippen Calculated Property
McVol	305.210	ml/mol	McGowan Calculated Property
P_c	1795.46	kPa	Joback Calculated Property
T_boil	1146.30	K	Joback Calculated Property
T_c	1403.40	K	Joback Calculated Property
T_fus	788.10	K	Joback Calculated Property
V_c	1.149	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1273.90; 1623.21]	J/mol×K	[1146.30; 1403.40]

C_p,gas	1273.90	J/mol×K	1146.30	Joback Calculated Property
C_p,gas	1319.57	J/mol×K	1189.15	Joback Calculated Property
C_p,gas	1369.55	J/mol×K	1232.00	Joback Calculated Property
C_p,gas	1424.36	J/mol×K	1274.85	Joback Calculated Property
C_p,gas	1484.55	J/mol×K	1317.70	Joback Calculated Property
C_p,gas	1550.66	J/mol×K	1360.55	Joback Calculated Property
C_p,gas	1623.21	J/mol×K	1403.40	Joback Calculated Property
Δ_fusH	[38.67; 42.30]	kJ/mol	[511.00; 515.00]
Δ_fusH	38.67	kJ/mol	511.00	NIST
Δ_fusH	42.30	kJ/mol	515.00	NIST

Similar Compounds

Find more compounds similar to Prednisolone Acetate.

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