Chemical Properties of Dexamethasone (CAS 50-02-2)

InChI

InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17+,19?,20?,21-,22?/m0/s1

InChI Key

UREBDLICKHMUKA-GCMAGEFQSA-N

Formula

C22H29FO5

SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

Molecular Weight¹

392.46

CAS

50-02-2

Other Names

• (11.beta.,16.alpha.)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1.4-diene-3,20-dione
• (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
• 1-dehydro-16.alpha.-methyl-9.alpha.-fluorohydrocortisone
• 16.alpha.-methyl-9.alpha.-fluoro-1,4-pregnadiene-11.beta.,17.alpha.,21-triol-3,20-dione
• 9-fluoro-11.beta.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione
• 9.alpha.-fluoro-16.alpha.-methylprednisolone
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«alpha»)-
• decacortin
• dexacortal
• «delta»

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.38	kJ/mol	Joback Calculated Property
log10WS	[-3.68; -3.59]
log10WS	-3.68		Aq. Solubility Prediction
log10WS	-3.59		Estimated Solubility
logPoct/wat	1.896		Crippen Calculated Property
McVol	291.320	ml/mol	McGowan Calculated Property
Inp	2970.00		NIST
Tfus	535.65	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1266.89; 1709.20]	J/mol×K	[1134.35; 1389.66]
Cp,gas	1266.89	J/mol×K	1134.35	Joback Calculated Property
Cp,gas	1322.76	J/mol×K	1176.90	Joback Calculated Property
Cp,gas	1384.85	J/mol×K	1219.45	Joback Calculated Property
Cp,gas	1453.87	J/mol×K	1262.01	Joback Calculated Property
Cp,gas	1530.48	J/mol×K	1304.56	Joback Calculated Property
Cp,gas	1615.36	J/mol×K	1347.11	Joback Calculated Property
Cp,gas	1709.20	J/mol×K	1389.66	Joback Calculated Property
ΔfusH	42.02	kJ/mol	539.00	NIST

Similar Compounds

Find more compounds similar to Dexamethasone.

Mixtures

• Carbon dioxide + Dexamethasone
• Carbon dioxide + Dexamethasone + Ethanol

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Solubility of Dexamethasone in Supercritical Carbon Dioxide
• Solubility of Dexamethasone in Supercritical Carbon Dioxide with and without a Cosolvent
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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