Chemical Properties of Budesonide

InChI

InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1

InChI Key

VOVIALXJUBGFJZ-UHFFFAOYSA-N

Formula

C25H34O6

SMILES

CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(C(=O)CO)O1

Molecular Weight¹

430.54

Other Names

• (11-«beta»,16-«alpha»)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione
• (RS)-11«beta»,16«alpha»,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with butyraldehyde
• 16-«alpha»,17-«alpha»-Butylidenedioxy-11-«beta»,21-dihydroxy-1,4-pregnadiene-3,20-dione
• 16«alpha»,17«alpha»-(butylidenedioxy)-11«beta»,21-dihydroxypregna-1,4-diene-3,20-dione (budesonide)
• Bidien
• Budeson
• Cortivent
• Entocort
• Micronyl
• Preferid
• Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11,21-dihydroxy-, (11«beta»,16«alpha»)-
• Pulmicort
• Respules
• Rhinocort
• S-1320
• Spirocort

• 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).
• 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	[1436.49; 1855.09]	J/mol×K	[1171.94; 1435.20]
Cp,gas	1436.49	J/mol×K	1171.94	Joback Calculated Property
Cp,gas	1490.59	J/mol×K	1215.82	Joback Calculated Property
Cp,gas	1550.10	J/mol×K	1259.69	Joback Calculated Property
Cp,gas	1615.65	J/mol×K	1303.57	Joback Calculated Property
Cp,gas	1687.90	J/mol×K	1347.45	Joback Calculated Property
Cp,gas	1767.50	J/mol×K	1391.32	Joback Calculated Property
Cp,gas	1855.09	J/mol×K	1435.20	Joback Calculated Property
ΔfusH	34.70	kJ/mol	534.00	NIST

Similar Compounds

Find more compounds similar to Budesonide.

Mixtures

• Water + Budesonide
• Ethanol + Budesonide
• Ethanol + Water + Budesonide

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
• Solubility of Budesonide, Hydrocortisone, and Prednisolone in Ethanol + Water Mixtures at 298.2 K
• 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.