Chemical Properties of Betamethasone (CAS 378-44-9)

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-/m1/s1

InChI Key

UREBDLICKHMUKA-FGEXTOQASA-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

378-44-9

Other Names

• (11«beta»,16«beta»)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
• 16-«beta»-Methyl-1,4-pregnadiene-9-«alpha»-fluoro-11-«beta»,17-«alpha»,21-triol-3,20-dione
• 9-Fluoro-11«beta»,17,21-trihydroxy-16«beta»-methylpregna-1,4-diene-3,20-dione
• 9-Fluoro-16«beta»-methylprednisolone
• 9-«alpha»-Fluoro-11-«beta»,17,21-trihydroxy-16-«beta»-methylpregna-1,4-diene-3,20-dione
• 9-«alpha»-Fluoro-11-«beta»,17-«alpha»,21-trihydroxy-16-«beta»-methylpregna-1,4-diene-3,20-dione
• 9-«alpha»-Fluoro-16-«beta»-methyl-1,4-pregnadiene-11-«beta»,17-«alpha»,21-triol-3,20-dione
• 9«alpha»-Fluoro-16«beta»-methylprednisolone
• Bebate
• Becort
• Bedifos
• Betacorlan
• Betacortril
• Betadexamethasone
• Betamamallet
• Betametasone
• Betamethazone
• Betapredol
• Betasolon
• Betnelan
• Betsolan
• Celestene
• Celestone
• Cidoten
• Corticosterone, 1-dehydro-9-fluoro-17-hydroxy-16«beta»-methyl-
• Dermabet
• Desacort-beta
• Desacort-«beta»
• Flubenisolone
• Hormezon
• Methazon
• NSC-39470
• Prednisolone, 9-fluoro-16«beta»-methyl-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«beta»)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,17,21-trihydroxy-16«beta»-methyl-
• Pregna-1,4-diene-3,20-dione, 9alpha-fluoro-11beta,17alpha,21-trihydroxy-16beta-methyl-
• Rinderon
• Rinderon A
• Sch 4831
• Valisone
• Visubeta
• «beta»-Corlan
• «beta»-Methasone
• «beta»-Methasone alcohol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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	[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

Similar Compounds

Find more compounds similar to Betamethasone.

Sources

• Cheméo Relay (1.0)
• 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
• 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.