Chem
J-GLOBAL ID：200907023665510166   Nikkaji number：J4.474A

Spironolactone

スピロノラクトン
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： C24H32O4S
Molecular formula furigana： C24-H32-O4-S
Molecular weight： 416.580
InChI： InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
InChI key： LXMSZDCAJNLERA-ZHYRCANASA-N
SMILES： CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]43CCC(=O)O4)[C@H]12
Systematic name  (4)：
  • (7α,17R)-7-(アセチルチオ)-17-ヒドロキシ-3-オキソプレグナ-4-エン-21-カルボン酸γ-ラクトン
  • (7R,17R)-7-(アセチルチオ)-17-ヒドロキシ-3-オキソプレグナ-4-エン-21-カルボン酸γ-ラクトン
  • (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(アセチルスルファニル)-9a,11a-ジメチル-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-テトラデカヒドロスピロ[シクロペンタ[a]フェナントレン-1,2'-オキソラン]-5',7-ジオン
  • (1R,3aS,3bR,4R,9aR,9bS,11aS)-4-(acetylsulfanyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione
Other name (37)：
  • アルダクトン
  • スピロノラクトン
  • Aldactone
  • Spironolactone
  • (7α,17R)-7-(Acethylthio)-17-hydroxy-3-oxopregn-4-ene-21-carboxylic acid γ-lactone
Show all
CAS registry number： 52-01-7
Regulation number (3)：
  • EINECS2001336
  • TU4725000
  • TSCA(52-01-7)
KEGG DRUG： D00443
KEGG COMPOUND： C07310
Application (2)：
hypotensive drug ,  aldosterone antagonist
Thsaurus map：
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