Chem
J-GLOBAL ID：200907007240660169   Nikkaji number：J7.958H

Prohalone

プロハロン
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： C21H28BrFO2
Molecular formula furigana： C21-H28-BR-F-O2
Molecular weight： 411.355
InChI： InChI=1S/C21H28BrFO2/c1-12(24)21(22)9-6-16-14-11-18(23)17-10-13(25)4-7-19(17,2)15(14)5-8-20(16,21)3/h10,14-16,18H,4-9,11H2,1-3H3/t14-,15+,16+,18+,19-,20+,21+/m1/s1
InChI key： GCCIFDUTISMRTG-SCUQKFFVSA-N
SMILES： CC(=O)[C@@]1(Br)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 17α-ブロモ-6α-フルオロプレグナ-4-エン-3,20-ジオン
  • (1R,3aS,3bR,5S,9aR,9bS,11aS)-1-アセチル-1-ブロモ-5-フルオロ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bR,5S,9aR,9bS,11aS)-1-acetyl-1-bromo-5-fluoro-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (5)：
  • プロハロン
  • ハロプロゲステロン
  • Prohalone
  • Haloprogesterone
  • 17α-Bromo-6α-fluoropregn-4-ene-3,20-dione
CAS registry number： 3538-57-6
KEGG DRUG： D04414
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