Dexamethasone 21-(4-Pyridinecarboxylate)

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Properties Simple | Detailed

Formula C28H32FNO6
IUPAC Name [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pyridine-4-carboxylate
Molecular Mass 497.555 g·mol−1
Heat of Formation -1089.1 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 576.62 Å 3
Surface Area 447.21 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 4-pyridinecarboxylic acid [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pyridine-4-carboxylate
  • auxilson
  • dexamethasone 21-isonicotinate
  • dexamethasone isonicotinate
  • isonicotinic acid [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((4-pyridinylcarbonyl)oxy)-, (11beta,16alpha)-
  • pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-isonicotinate
  • pyridine-4-carboxylic acid-(dexamethasone-21') ester
  • voren
CAS Number(s)
  • 2265-64-7
  • 68402-70-0
InChIKey BQTXJHAJMDGOFI-NJLPOHDGSA-N
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