Chemical Properties of Dexamethasone-21-acetate (CAS 1177-87-3)

InChI

InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3

InChI Key

AKUJBENLRBOFTD-UHFFFAOYSA-N

Formula

C24H31FO6

SMILES

CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C

Molecular Weight¹

434.50

CAS

1177-87-3

Other Names

• 16«alpha»-Methyl-9«alpha»-fluoroprednisolone 21-acetate
• 16«alpha»-Methyl-9«alpha»-fluoroprednisolone 21-acetate
• 9-Fluoro-11«beta»,17,21-trihydroxy-16«alpha»-methylpregna-1,4-diene-3,20-dione 21-acetate
• 9-Fluoro-11«beta»,17,21-trihydroxy-16«alpha»-methylpregna-1,4-diene-3,20-dione 21-acetate
• 9«alpha»-Fluoro-16«alpha»-methylprednisolone acetate
• 9«alpha»-Fluoro-16«alpha»-methylprednisolone acetate
• Dalalone DP
• Dalalone LA
• Decadron-L.A.
• Decadron-LA
• Decadronal
• Dectan
• Dectancyl
• Dex-Cortidelt acetate
• Dexa-Cortisyl
• Dexamethasome acetate
• Dexamethasone acetate
• Fortecortin
• Fortecortin (crystal suspension)
• NSC 39471
• Panasone
• Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate
• Prednisolone, 9«alpha»-fluoro-16«alpha»-methyl-, acetate
• Prednisolone, 9«alpha»-fluoro-16«alpha»-methyl-, acetate
• Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11«beta»,16«alpha»)-
• Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11«beta»,16«alpha»)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,17,21-trihydroxy-16«alpha»-methyl-, 21-acetate
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,17,21-trihydroxy-16«alpha»-methyl-, acetate
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,17,21-trihydroxy-16«alpha»-methyl-, 21-acetate
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,17,21-trihydroxy-16«alpha»-methyl-, acetate
• [2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

• 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.

Physical Properties

Property	Value	Unit	Source
ω	0.7811		Relay (1.0) Calculated Property
ΔfG°	-622.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1157.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.25	kJ/mol	Joback Calculated Property
ΔvapH°	157.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	[-4.90; -4.90]
log10WS	-4.90		Aq. Solubility Prediction
log10WS	-4.90		Estimated Solubility
logPoct/wat	2.466		Crippen Calculated Property
McVol	321.070	ml/mol	McGowan Calculated Property
Pc	1614.17	kPa	Joback Calculated Property
Tboil	689.40	K	Relay (1.0) Calculated Property
Tc	1015.00	K	Relay (1.0) Calculated Property
Tfus	520.65	K	Aq. Solubility Prediction
Vc	1.130	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1397.32; 1874.05]	J/mol×K	[1164.02; 1425.64]
Cp,gas	1397.32	J/mol×K	1164.02	Joback Calculated Property
Cp,gas	1457.99	J/mol×K	1207.62	Joback Calculated Property
Cp,gas	1525.23	J/mol×K	1251.23	Joback Calculated Property
Cp,gas	1599.75	J/mol×K	1294.83	Joback Calculated Property
Cp,gas	1682.25	J/mol×K	1338.43	Joback Calculated Property
Cp,gas	1773.45	J/mol×K	1382.04	Joback Calculated Property
Cp,gas	1874.05	J/mol×K	1425.64	Joback Calculated Property
ΔfusH	37.72	kJ/mol	503.00	NIST

Similar Compounds

Find more compounds similar to Dexamethasone-21-acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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