Chem
J-GLOBAL ID：200907066609597390   Nikkaji number：J11.090F

Halopredone

ハロプレドン
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： C21H25BrF2O5
Molecular formula furigana： C21-H25-BR-F2-O5
Molecular weight： 475.327
InChI： InChI=1S/C21H25BrF2O5/c1-18-8-16(27)21(24)11(10(18)3-4-20(18,29)17(28)9-25)5-14(23)12-6-15(26)13(22)7-19(12,21)2/h6-7,10-11,14,16,25,27,29H,3-5,8-9H2,1-2H3/t10-,11-,14+,16-,18-,19-,20-,21-/m0/s1
InChI key： MYZDPUZXMFCPMU-LRIWMWCYSA-N
SMILES： C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@@H](F)C4=CC(=O)C(=C[C@]34C)Br)[C@@H]1CC[C@]2(O)C(=O)CO
Systematic name  (3)：
  • 2-ブロモ-6β,9-ジフルオロ-11β,17,21-トリヒドロキシプレグナ-1,4-ジエン-3,20-ジオン
  • (1R,3aS,3bS,5R,9aS,9bR,10S,11aS)-8-ブロモ-5,9b-ジフルオロ-1,10-ジヒドロキシ-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-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-7-オン
  • (1R,3aS,3bS,5R,9aS,9bR,10S,11aS)-8-bromo-5,9b-difluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • ハロプレドン
  • Halopredone
  • 2-Bromo-6β,9-difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione
CAS registry number： 57781-15-4
Regulation number (1)：
  • EINECS2609535
KEGG DRUG： D08036
Application (3)：
glucocorticoid ,  antirheumatic drug ,  antiphlogistic
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