Chem
J-GLOBAL ID：200907073775478630   Nikkaji number：J13.853C

Chlormadinone

クロルマジノン
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： C21H27ClO3
Molecular formula furigana： C21-H27-CL-O3
Molecular weight： 362.890
InChI： InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1
InChI key： VUHJZBBCZGVNDZ-TTYLFXKOSA-N
SMILES： CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 6-クロロ-17-ヒドロキシプレグナ-4,6-ジエン-3,20-ジオン
  • (1R,3aS,3bR,9aR,9bS,11aS)-1-アセチル-5-クロロ-1-ヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,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,9aR,9bS,11aS)-1-acetyl-5-chloro-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • クロルマジノン
  • Chlormadinone
  • Chlormadinon
  • 6-Chloro-17-hydroxypregna-4,6-diene-3,20-dione
CAS registry number： 1961-77-9
Regulation number (2)：
  • TU3730000
  • EINECS2178023
KEGG DRUG： D07670
Application (2)：
drug for genitalia ,  corpus luteum hormone
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