Chem
J-GLOBAL ID:200907023501091405   Nikkaji number:J106.513K

Clocortolone

クロコルトロン
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: C22H28ClFO4
Molecular formula furigana: C22-H28-CL-F-O4
Molecular weight: 410.910
InChI: InChI=1S/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1
InChI key: YMTMADLUXIRMGX-RFPWEZLHSA-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(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
Systematic name  (3):
  • 9-クロロ-6α-フルオロ-11β,21-ジヒドロキシ-16α-メチルプレグナ-1,4-ジエン-3,20-ジオン
  • (1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-クロロ-5-フルオロ-10-ヒドロキシ-1-(2-ヒドロキシアセチル)-2,9a,11a-トリメチル-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
  • (1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-chloro-5-fluoro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3):
  • クロコルトロン
  • Clocortolone
  • 9-Chloro-6α-fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
CAS registry number: 4828-27-7
Regulation number (1):
  • EINECS2254067
KEGG DRUG: D07719
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