Chemical Properties of Beclomethasone (CAS 4419-39-0)

InChI

InChI=1S/C22H29ClO5/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

InChI Key

NBMKJKDGKREAPL-UHFFFAOYSA-N

Formula

C22H29ClO5

SMILES

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

Molecular Weight¹

408.92

CAS

4419-39-0

Other Names

• 9-Chloro-11«beta»,17,21-trihydroxy-16«beta»-methyl-pregna-1,4-diene-3,20-dione
• 9«alpha»-Chloro-16«beta»-methylprednisolone
• Beclometasone
• Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«beta»)-

• 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	[1317.63; 1824.76]	J/mol×K	[1172.51; 1436.36]
Cp,gas	1317.63	J/mol×K	1172.51	Joback Calculated Property
Cp,gas	1381.22	J/mol×K	1216.49	Joback Calculated Property
Cp,gas	1452.18	J/mol×K	1260.46	Joback Calculated Property
Cp,gas	1531.26	J/mol×K	1304.44	Joback Calculated Property
Cp,gas	1619.22	J/mol×K	1348.41	Joback Calculated Property
Cp,gas	1716.80	J/mol×K	1392.39	Joback Calculated Property
Cp,gas	1824.76	J/mol×K	1436.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Beclomethasone.

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
• Crippen Method
• Joback 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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