Meclorisone Dibutyrate

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Properties Simple | Detailed

Formula C24H16Cl2O6
IUPAC Name carbon dioxide; (2z,7s)-7-chloro-7-(1-chlorovinyl)-6-[3,5-dimethylene-4-(oxomethylene)cyclopenten-1-yl]-8-methylene-cyclodeca-2,4,5-trien-9-yn-1-one; formaldehyde
Molecular Mass 471.286 g·mol−1
Heat of Formation -1319.0 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 653.04 Å 3
Surface Area 473.83 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 9,11beta-dichloro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(butyrate)
  • 9,11beta-dichloro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione dibutyrate
  • [(8s,9r,10s,11s,13s,14s,16r,17r)-17-(2-butanoyloxyacetyl)-9,11-dichloro-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-butanoyloxyethanoyl)-9,11-dichloro-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)-9,11-dichloro-10,13,16-trimethyl-3-oxo-17-[1-oxo-2-(1-oxobutoxy)ethyl]-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-butyryloxyacetyl)-9,11-dichloro-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • d04878
  • meclorisone dibutyrate (usan)
  • pregna-1,4-diene-3,20-dione, 9,11-dichloro-16-methyl-17,21-bis(1-oxobutoxy)-, (11beta,16alpha)-
  • sch 11572
  • sch-11572
CAS Number(s)
  • 10549-91-4
InChIKey HUXCOHMTWUSXGY-GAPIFECDSA-N
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