Prednisolone (CAS 50-24-8)

InChI

InChI=1S/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m1/s1

InChI Key

OIGNJSKKLXVSLS-NDNUHCHRSA-N

Formula

C21H28O5

SMILES

CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

Molecular Weight¹

360.44

CAS

50-24-8

Other Names

.DELTA.1-cortisol
.DELTA.1-dehydrocortisol
.DELTA.1-dehydrohydrocortisone
.DELTA.1-hydrocortisone
1,2-Dehydrohydrocortisone
1,4-Pregnadien-11-«beta»,17-«alpha»,21-triol-3,20-dione
1,4-Pregnadien-11-Â«betaÂ»,17-Â«alphaÂ»,21-triol-3,20-dione
1,4-Pregnadiene-11-«beta»,17-«alpha»,21-triol-3,20-dione
1,4-Pregnadiene-11-Â«betaÂ»,17-Â«alphaÂ»,21-triol-3,20-dione
1,4-Pregnadiene-3,20-dione-11-«beta»,17-«alpha»,21-triol
1,4-Pregnadiene-3,20-dione-11-Â«betaÂ»,17-Â«alphaÂ»,21-triol
1,4-pregnadiene-11.beta.,17.alpha.,21-triol-3,20-dione
1-Dehydrohydrocortisone
11,17,21-Trihydroxypregna-1,4-diene-3,20-dione, (11«beta»)-
11,17,21-Trihydroxypregna-1,4-diene-3,20-dione, (11Â«betaÂ»)-
11-«beta»,17,21-Trihydroxypregna-1,4-diene-3,20-dione
11-«beta»,17-«alpha»,21-Trihydroxy-1,4-pregnadiene-3,20-dione
11-«beta»,17-«alpha»,21-Trihydroxypregna-1,4-diene-3,20-dione
11-Â«betaÂ»,17,21-Trihydroxypregna-1,4-diene-3,20-dione
11-Â«betaÂ»,17-Â«alphaÂ»,21-Trihydroxy-1,4-pregnadiene-3,20-dione
11-Â«betaÂ»,17-Â«alphaÂ»,21-Trihydroxypregna-1,4-diene-3,20-dione
11.beta.,17.alpha.,21-trihydroxypregna-1,4-diene-3,20-dione
Co-Hydeltra
Codelcortone
Cordrol
Cortalone
Cotogesic
Decaprednil
Decortin H
Delcortol
Delta F
Delta-Cortef
Delta-Ef-Cortelan
Delta-Stab
Deltacortenol
Deltacortril
Deltahydrocortisone
Deltasolone
Deltisilone
Derpo PD
Dexa-Cortidelt Hostacortin H
Di-Adreson F
Dicortol
Donisolone
Dydeltrone
Eazolin D
Erbacort
Erbasona
Estilsona
Fernisolone
Fernisolone P
Hostacortin
Hostacortin H
Hydeltra
Hydeltrone
Hydrodeltalone
Hydrodeltisone
Hydroretrocortin
Hydroretrocortine
K 1557
Klismacort
Lentosone
Metacortandralone
Meti-Derm
Meticortelone
PRDL
Panafcortelone
Paracortol
Paracotol
Precortancyl
Precortilon
Precortisyl
Predne-Dome
Prednelan
Prednicen
Predniliderm
Prednis
Predonin
Predonine
Preflam
Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11«beta»)-
Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11Â«betaÂ»)-
Pregna-1,4-diene-3,20-dione, 11«beta»,17,21-trihydroxy-
Pregna-1,4-diene-3,20-dione, 11Â«betaÂ»,17,21-trihydroxy-
Prelone
Prenolone
Rolisone
Scherisolon
Solone
Steran
Sterane
Sterolone
Ulacort
Ultracorten H
Ultracortene-H
Ultracortene-hydrogen
pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11.beta.)-
pregna-1,4-diene-3,20-dione, 11.beta.,17,21-trihydroxy-
«DELTA»1-Cortisol
«DELTA»1-Dehydrocortisol
«DELTA»1-Dehydrohydrocortisone
«DELTA»1-Hydrocortisone
Â«DELTAÂ»1-Cortisol
Â«DELTAÂ»1-Dehydrocortisol
Â«DELTAÂ»1-Dehydrohydrocortisone
Â«DELTAÂ»1-Hydrocortisone

ω : Acentric Factor.
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).
IE : Ionization energy (eV).
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
ω	0.8367		Relay (1.0) Calculated Property
Δ_fG°	-342.84	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-728.53	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	31.93	kJ/mol	Joback Calculated Property
Δ_vapH°	161.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log₁₀WS	[-3.18; -3.15]
log₁₀WS	-3.15		Aq. Solubility Prediction
log₁₀WS	-3.18		Estimated Solubility
logP_oct/wat	1.558		Crippen Calculated Property
McVol	275.460	ml/mol	McGowan Calculated Property
P_c	2220.80	kPa	Joback Calculated Property
T_boil	678.51	K	Relay (1.0) Calculated Property
T_c	1032.91	K	Relay (1.0) Calculated Property
T_fus	511.48	K	Aq. Solubility Prediction
V_c	0.963	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1151.62; 1477.98]	J/mol×K	[1116.43; 1366.85]

C_p,gas	1151.62	J/mol×K	1116.43	Joback Calculated Property
C_p,gas	1193.94	J/mol×K	1158.17	Joback Calculated Property
C_p,gas	1240.40	J/mol×K	1199.90	Joback Calculated Property
C_p,gas	1291.52	J/mol×K	1241.64	Joback Calculated Property
C_p,gas	1347.81	J/mol×K	1283.37	Joback Calculated Property
C_p,gas	1409.79	J/mol×K	1325.11	Joback Calculated Property
C_p,gas	1477.98	J/mol×K	1366.85	Joback Calculated Property
Δ_fusH	38.86	kJ/mol	513.00	NIST

Similar Compounds

2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione.

11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione.

11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione.

11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione.

6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine.

Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate.

17Alpha,21-dihydroxypregna-1,4-diene-3,20-dione.

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Chemical Properties of Prednisolone (CAS 50-24-8)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

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