Chem
J-GLOBAL ID：200907043625934703   Nikkaji number：J286.367G

Dexamethasone 21-(3,3-dimethylbutyrate)

デキサメタゾン21-(3,3-ジメチルブチラート)
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： C28H39FO6
Molecular formula furigana： C28-H39-F-O6
Molecular weight： 490.612
InChI： InChI=1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19+,20+,21+,25+,26+,27+,28+/m1/s1
InChI key： PQVDYPCHUGFHAR-PKWREOPISA-N
SMILES： C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CC(C)(C)C
Systematic name  (5)：
  • 21-(3,3-ジメチル-1-オキソブトキシ)-9-フルオロ-11β,17-ジヒドロキシ-16α-メチルプレグナ-1,4-ジエン-3,20-ジオン
  • 3,3-ジメチルブタン酸9-フルオロ-11β,17α-ジヒドロキシ-16α-メチル-3,20-ジオキソ-1,4-プレグナジエン-21-イル
  • 9-フルオロ-11β,17,21-トリヒドロキシ-16α-メチルプレグナ-1,4-ジエン-3,20-ジオン21-(3,3-ジメチルブチラート)
  • 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-フルオロ-1,10-ジヒドロキシ-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 3,3-ジメチルブタノアート
  • 2-[(1R,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-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 3,3-dimethylbutanoate
Other name (5)：
  • 21-(3,3-Dimethyl-1-oxobutoxy)-9-fluoro-11β,17-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • 3,3-Dimethylbutanoic acid 9-fluoro-11β,17α-dihydroxy-16α-methyl-3,20-dioxo-1,4-pregnadiene-21-yl ester
  • デキサメタゾン21-(3,3-ジメチルブチラート)
  • Dexamethasone 21-(3,3-dimethylbutyrate)
  • 9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
CAS registry number： 24668-75-5
Regulation number (1)：
  • EINECS2463892
KEGG DRUG： D07799
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