Chem
J-GLOBAL ID：200907041278831807   Nikkaji number：J9.016F

SH 968

ジフルコルトロンピバラート
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： C27H36F2O5
Molecular formula furigana： C27-H36-F2-O5
Molecular weight： 478.577
InChI： InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
InChI key： UWGRWFCLGQWKPR-GSTUPEFVSA-N
SMILES： C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C
Systematic name  (3)：
  • 6α,9-ジフルオロ-11β-ヒドロキシ-16α-メチル-21-ピバロイルオキシプレグナ-1,4-ジエン-3,20-ジオン
  • 2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-ジフルオロ-10-ヒドロキシ-2,9a,11a-トリメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-オキソエチル 2,2-ジメチルプロパノアート
  • 2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 2,2-dimethylpropanoate
Other name (4)：
  • ジフルコルトロンピバラート
  • SH 968
  • Diflucortolone pivalate
  • 6α,9-Difluoro-11β-hydroxy-16α-methyl-21-pivaloyloxypregna-1,4-diene-3,20-dione
CAS registry number： 15845-96-2
Regulation number (1)：
  • EINECS2399534
KEGG DRUG： D03813
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