Chemical Properties of Dexamethasone (CAS 50-02-2)

Dexamethasone

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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?/m0/s1
InChI Key
UREBDLICKHMUKA-GCMAGEFQSA-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
50-02-2
Other Names
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«alpha»)-
  • «delta»
Sources

Physical Properties

Property Value Unit Source
Δf -542.43 kJ/mol Joback Calculated Property
Δfgas -1056.40 kJ/mol Joback Calculated Property
Δfus 32.38 kJ/mol Joback Calculated Property
Δvap 120.70 kJ/mol Joback Calculated Property
logPoct/wat 1.90 Crippen Calculated Property
Pc 1973.55 kPa Joback Calculated Property
Tboil 1134.15 K Joback Calculated Property
Tc 1389.42 K Joback Calculated Property
Tfus 785.74 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1266.64 J/mol×K 1134.15 Joback Calculated Property
ΔfusH 42.02 kJ/mol 539.0 NIST

Molecular Descriptors

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

Similar Compounds

Betamethasone. Triamcinolone. Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate. Dexamethasone, disodium phosphate. 9Alpha-fluoro-16alpha-methylprednisolone-21-phosphate disodium salt. Betamethasone dipropionate. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. Dexamethasone tetra-TMS. TRIAMCINOLONE DIACETATE. Fluoxymesterone. Triamcinolone acetonide. Triamcinolone tetra-TMS. 17-epi-Fluoxymesterone, 17-TMS. Methylprednisolone. Prednisolone.

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