Chem
J-GLOBAL ID：200907017019021181   Nikkaji number：J18.185D

RS-40584

フルモキソニド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H34F2O7
Molecular formula furigana： C26-H34-F2-O7
Molecular weight： 496.548
InChI： InChI=1S/C26H34F2O7/c1-22(2)34-19-11-14-15-10-17(27)16-9-13(29)7-8-23(16,3)25(15,28)18(30)12-24(14,4)26(19,35-22)20(31)21(32-5)33-6/h7-9,14-15,17-19,21,30H,10-12H2,1-6H3/t14-,15-,17-,18-,19+,23-,24-,25-,26-/m0/s1
InChI key： IUIYEHXOIMMQJY-NGXOUOCZSA-N
SMILES： COC(OC)C(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C
Systematic name  (3)：
  • 6α,9-ジフルオロ-11β-ヒドロキシ-21,21-ジメトキシ-16α,17-[イソプロピリデンビス(オキシ)]プレグナ-1,4-ジエン-3,20-ジオン
  • (1S,2S,4R,8S,9S,11S,12R,13S,19S)-8-(2,2-ジメトキシアセチル)-12,19-ジフルオロ-11-ヒドロキシ-6,6,9,13-テトラメチル-5,7-ジオキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-14,17-ジエン-16-オン
  • (1S,2S,4R,8S,9S,11S,12R,13S,19S)-8-(2,2-dimethoxyacetyl)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Other name (4)：
  • フルモキソニド
  • RS-40584
  • Flumoxonide
  • 6α,9-Difluoro-11β-hydroxy-21,21-dimethoxy-16α,17-[isopropylidenebis(oxy)]pregna-1,4-diene-3,20-dione
CAS registry number： 60135-22-0
Regulation number (1)：
  • EINECS2620742
KEGG DRUG： D04212
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