Hydrocortisone Butyrate [Usan:Ban:Jan]

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Properties Simple | Detailed

Formula C25H36O6
IUPAC Name [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
Molecular Mass 432.550 g·mol−1
Heat of Formation -1217.7 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 530.26 Å 3
Surface Area 411.63 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 11,17,21-trihydroxypregn-4-ene-3,20-dione
  • 11-beta,17-alpha,21-trihydroxy-4-pregnene-3,20-dione 17-alpha-butyrate
  • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate
  • [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
  • [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] butanoate
  • bucort
  • butanoic acid [(8s,9s,10r,11s,13s,14s,17r)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • butyric acid [(8s,9s,10r,11s,13s,14s,17r)-17-glycoloyl-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • cortisol, 17-butyrate
  • d01619
  • hycortate
  • hydrocortisone butyrate
  • hydrocortisone-17alpha-butyrate
  • lacoidon
  • locoid
  • pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-(1-oxobutoxy)-, (11-beta)-
  • pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-(1-oxobutoxy)-, (11beta)-
CAS Number(s)
  • 13609-67-1
InChIKey BMCQMVFGOVHVNG-TUFAYURCSA-N
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