Beclomethasone

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Formula C22H29ClO5
IUPAC Name (8s,9r,10s,11s,13s,14s,16s,17r)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 408.916 g·mol−1
Heat of Formation -968.1 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 466.16 Å 3
Surface Area 351.94 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • (8s,9r,10s,11s,13s,14s,16s,17r)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,9r,10s,11s,13s,14s,16s,17r)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,9r,10s,11s,13s,14s,16s,17r)-9-chloro-11,17-dihydroxy-17-(2-hydroxyethanoyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • (8s,9r,10s,11s,13s,14s,16s,17r)-9-chloro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
  • 9-chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
  • 9alpha-chloro-16beta-methylprednisolone
  • bcbcmap01_000159
  • beclometasone
  • becotide
  • bmj 5800
  • pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11beta,16beta)-
  • smp1_000039
CAS Number(s)
  • 4419-39-0
InChIKey NBMKJKDGKREAPL-DVTGEIKXSA-N
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