Chemical Properties of Methylprednisolone (CAS 83-43-2)

InChI

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3

InChI Key

VHRSUDSXCMQTMA-UHFFFAOYSA-N

Formula

C22H30O5

SMILES

CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12

Molecular Weight¹

374.47

CAS

83-43-2

Other Names

• (6.alpha.,11.beta.)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
• (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
• (6«alpha»,11«beta»)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione
• 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-6alpha-methyl-
• 11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
• 11-«beta»,17,21-Trihydroxy-6-«alpha»-methylpregna-1,4-diene-3,20-dione
• 11-«beta»,17-«alpha»,21-Trihydroxy-6-«alpha»-methyl-1,4-pregnadiene-3,20-dione
• 6-«alpha»-Methylprednisolone
• A-Methapred
• Besonia
• Depo-Medrol
• Dopomedrol
• M-Prednisol
• MEPRDL
• Medesone
• Medrate
• Medrol
• Medrol adt pak
• Medrol dosepak
• Medrone
• Mesopren
• Metastab
• Metilbetasone
• Metrisone
• Moderin
• NSC-19987
• Noretona
• Prednisolone, 6«alpha»-methyl-
• Prednisolone, methyl-
• Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6«alpha»,11«beta»)-
• Pregna-1,4-diene-3,20-dione, 11«beta»,17,21-trihydroxy-6«alpha»-methyl-
• Pregna-1,4-diene-3,20-dione, 6«alpha»-methyl-11«beta»-17,21-trihydroxy-
• Promacortine
• Suprametil
• U 7532
• Urbason
• Urbasone
• Urbazone
• Wyacort
• «DELTA»1-6«alpha»-Methylhydrocortisone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[1230.07; 1577.18]	J/mol×K	[1134.84; 1390.04]
Cp,gas	1230.07	J/mol×K	1134.84	Joback Calculated Property
Cp,gas	1275.27	J/mol×K	1177.37	Joback Calculated Property
Cp,gas	1324.81	J/mol×K	1219.91	Joback Calculated Property
Cp,gas	1379.23	J/mol×K	1262.44	Joback Calculated Property
Cp,gas	1439.07	J/mol×K	1304.97	Joback Calculated Property
Cp,gas	1504.87	J/mol×K	1347.50	Joback Calculated Property
Cp,gas	1577.18	J/mol×K	1390.04	Joback Calculated Property
ΔvapH	192.20	kJ/mol	387.90	Comprehensive thermodynamic study of methylprednisolone

Similar Compounds

Find more compounds similar to Methylprednisolone.

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
• Comprehensive thermodynamic study of methylprednisolone
• Joback Method
• Aqueous Solubility Prediction 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.
These property values are available through the Cheméo API. A free account gives you an access key.