(11β,16Alpha)-9-Fluoro-11,17-Dihydroxy-16-Methyl-3,20-Dioxopregna-1,4-Dien-21-Yl Methanesulfonate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H31FO7S
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] methanesulfonate
Molecular Mass 470.551 g·mol−1
Heat of Formation -1443.4 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 520.58 Å 3
Surface Area 394.07 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • [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] methanesulfonate
  • dexamethasone 21-mesylate
  • dexamethasone 21-methanesulfonate
  • methanesulfonic 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-((methylsulfonyl)oxy)-, (11beta,16alpha)-
CAS Number(s)
  • 2265-22-7
InChIKey ATNWRUJPJUBMHC-HOGMHMTRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O F