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

Dexamethasone

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
  • (11.beta.,16.alpha.)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1.4-diene-3,20-dione
  • (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
  • 1-dehydro-16.alpha.-methyl-9.alpha.-fluorohydrocortisone
  • 16.alpha.-methyl-9.alpha.-fluoro-1,4-pregnadiene-11.beta.,17.alpha.,21-triol-3,20-dione
  • 9-fluoro-11.beta.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione
  • 9.alpha.-fluoro-16.alpha.-methylprednisolone
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«alpha»)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«alpha»)-
  • decacortin
  • dexacortal
  • «delta»
  • «delta»
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Physical Properties

Property Value Unit Source
ω 0.8334 Relay (1.0) Calculated Property
Δf -542.43 kJ/mol Joback Calculated Property
Δfgas -934.53 kJ/mol Relay (1.0) Calculated Property
Δfus 32.38 kJ/mol Joback Calculated Property
Δvap 161.69 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
log10WS [-3.68; -3.59]   Show Hide
log10WS -3.59 Estimated Solubility
log10WS -3.68 Aq. Solubility Prediction
logPoct/wat 1.896 Crippen Calculated Property
McVol 291.320 ml/mol McGowan Calculated Property
Pc 1973.55 kPa Joback Calculated Property
Inp 2970.00 NIST
Tboil 677.31 K Relay (1.0) Calculated Property
Tc 1031.66 K Relay (1.0) Calculated Property
Tfus 535.65 K Aq. Solubility Prediction
Vc 1.019 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1266.64; 1708.64] J/mol×K [1134.15; 1389.42] Show Hide
Cp,gas 1266.64 J/mol×K 1134.15 Joback Calculated Property
Cp,gas 1322.47 J/mol×K 1176.69 Joback Calculated Property
Cp,gas 1384.52 J/mol×K 1219.24 Joback Calculated Property
Cp,gas 1453.49 J/mol×K 1261.78 Joback Calculated Property
Cp,gas 1530.04 J/mol×K 1304.33 Joback Calculated Property
Cp,gas 1614.86 J/mol×K 1346.87 Joback Calculated Property
Cp,gas 1708.64 J/mol×K 1389.42 Joback Calculated Property
ΔfusH 42.02 kJ/mol 539.00 NIST

Similar Compounds

Betamethasone. Fluoromethalone. 9Alpha-fluoro-16alpha-methylprednisolone-21-phosphate disodium salt. Triamcinolone. Betamethasone-17-valerate. Dexamethasone-21-acetate. Flumethasone. Betamethasone dipropionate. Triamcinolone diacetate. Dexamethasone tetra-TMS. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one. Triamcinolone Acetonide. 17-epi-Fluoxymesterone, 17-TMS. Triamcinolone tetra-TMS.

Find more compounds similar to Dexamethasone.

Mixtures

Sources

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