Icomethasone Enbutate

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Formula C28H37ClO7
IUPAC Name [(8s,9r,10s,11s,13s,14s,16r,17r)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate hydrate
Molecular Mass 521.042 g·mol−1
Heat of Formation -1398.3 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 607.91 Å 3
Surface Area 454.11 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 9-chloro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17-butyrate 21-acetate
  • [(8s,9r,10s,11s,13s,14s,16r,17r)-17-(2-acetoxyacetyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
  • [(8s,9r,10s,11s,13s,14s,16r,17r)-17-(2-acetyloxyacetyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
  • [(8s,9r,10s,11s,13s,14s,16r,17r)-17-(2-acetyloxyethanoyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
  • butanoic acid [(8s,9r,10s,11s,13s,14s,16r,17r)-17-(2-acetoxy-1-oxoethyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • butyric acid [(8s,9r,10s,11s,13s,14s,16r,17r)-17-(2-acetoxyacetyl)-9-chloro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • cl09
  • icometasone enbutate
CAS Number(s)
  • 103466-73-5
InChIKey OVTRPNSKIPQZEC-NJLPOHDGSA-N
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