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

Budesonide

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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
C25H34O6
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
  • (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
Sources

Physical Properties

Property Value Unit Source
Δf -291.54 kJ/mol Joback Calculated Property
Δfgas -976.42 kJ/mol Joback Calculated Property
Δfus 53.37 kJ/mol Joback Calculated Property
Δvap 121.60 kJ/mol Joback Calculated Property
logPoct/wat 2.72 Crippen Calculated Property
Pc 1575.95 kPa Joback Calculated Property
Tboil 1171.74 K Joback Calculated Property
Tc 1434.96 K Joback Calculated Property
Tfus 805.32 K Joback Calculated Property
Vc 1.24 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1436.25 J/mol×K 1171.74 Joback Calculated Property
ΔfusH 34.70 kJ/mol 534.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
>C=O (nonring) 1
=CH- (ring) 3
-OH (alcohol) 2
=C< (ring) 1
-CH2- 3
>C< (ring) 3
-CH3 3
>CH- (ring) 6
-CH2- (ring) 4
>C=O (ring) 1

Similar Compounds

Triamcinolone acetonide. TRIAMCINOLONE DIACETATE. Betamethasone dipropionate. 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate. Triamcinolone. Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate. 3,18-Dioxo-11«beta»,17«alpha»-dihydroxy-4-etienic acid, 20,18-lactone, 18,11-hemiacetal, MO-TMS. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. Dexamethasone. Betamethasone. Prednisolone. GA3-3.beta.-O-glucoside, permethylated. Beclomethasone.

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