Chemical Properties of Budesonide (CAS 51333-22-3)

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

InChI Key

VOVIALXJUBGFJZ-UHFFFAOYSA-N

Formula

SMILES

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

Molecular Weight¹

430.53

CAS

51333-22-3

Other Names

(11-«beta»,16-«alpha»)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione
(11-Â«betaÂ»,16-Â«alphaÂ»)-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
(RS)-11Â«betaÂ»,16Â«alphaÂ»,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-Â«alphaÂ»,17-Â«alphaÂ»-Butylidenedioxy-11-Â«betaÂ»,21-dihydroxy-1,4-pregnadiene-3,20-dione
16«alpha»,17«alpha»-(butylidenedioxy)-11«beta»,21-dihydroxypregna-1,4-diene-3,20-dione (budesonide)
16Â«alphaÂ»,17Â«alphaÂ»-(butylidenedioxy)-11Â«betaÂ»,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»)-
Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11,21-dihydroxy-, (11Â«betaÂ»,16Â«alphaÂ»)-
Pulmicort
Respules
Rhinocort
S-1320
Spirocort

C_p,gas : Ideal gas heat capacity (J/mol×K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization 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).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	-291.54	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-976.42	kJ/mol	Joback Calculated Property
Δ_fusH°	53.37	kJ/mol	Joback Calculated Property
Δ_vapH°	121.60	kJ/mol	Joback Calculated Property
log₁₀WS	-4.19		Aq. Sol...
logP_oct/wat	2.717		Crippen Calculated Property
McVol	326.830	ml/mol	McGowan Calculated Property
P_c	1575.95	kPa	Joback Calculated Property
T_boil	1171.74	K	Joback Calculated Property
T_c	1434.96	K	Joback Calculated Property
T_fus	805.32	K	Joback Calculated Property
V_c	1.236	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1436.25; 1854.58]	J/mol×K	[1171.74; 1434.96]

C_p,gas	1436.25	J/mol×K	1171.74	Joback Calculated Property
C_p,gas	1490.32	J/mol×K	1215.61	Joback Calculated Property
C_p,gas	1549.79	J/mol×K	1259.48	Joback Calculated Property
C_p,gas	1615.30	J/mol×K	1303.35	Joback Calculated Property
C_p,gas	1687.51	J/mol×K	1347.22	Joback Calculated Property
C_p,gas	1767.05	J/mol×K	1391.09	Joback Calculated Property
C_p,gas	1854.58	J/mol×K	1434.96	Joback Calculated Property
Δ_fusH	34.70	kJ/mol	534.00	NIST

Similar Compounds

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Mixtures

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