Chem
J-GLOBAL ID：200907018013373520   Nikkaji number：J8.959A

Hydeltra-T.B.A.

プレドニソロンテブタート
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： C27H38O6
Molecular formula furigana： C27-H38-O6
Molecular weight： 458.595
InChI： InChI=1S/C27H38O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h8,10,12,18-20,23,29,32H,6-7,9,11,13-15H2,1-5H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1
InChI key： HUMXXHTVHHLNRO-KAJVQRHHSA-N
SMILES： CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Systematic name  (4)：
  • 11β,17,21-トリヒドロキシプレグナ-1,4-ジエン-3,20-ジオン21-(3,3-ジメチルブチラート)
  • 11β,17-ジヒドロキシ-21-(3,3-ジメチル-1-オキソブトキシ)プレグナ-1,4-ジエン-3,20-ジオン
  • 2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-ジヒドロキシ-9a,11a-ジメチル-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,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-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 (7)：
  • プレドニソロンテブタート
  • Hydeltra-T.B.A.
  • Prednisolone tebutate
  • 11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
  • 11β,17-Dihydroxy-21-(3,3-dimethyl-1-oxobutoxy)pregna-1,4-diene-3,20-dione
Show all
CAS registry number： 7681-14-3
Regulation number (2)：
  • 7-(1)-354
  • EINECS2316615
KEGG DRUG： D00982
KEGG COMPOUND： C08182
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