Chem
J-GLOBAL ID：200907049541900534   Nikkaji number：J10.428K

RS-4464

トリクロニド
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： C24H28Cl3FO4
Molecular formula furigana： C24-H28-CL3-F-O4
Molecular weight： 505.830
InChI： InChI=1S/C24H28Cl3FO4/c1-20(2)31-19-9-13-14-8-16(28)15-7-12(29)5-6-21(15,3)23(14,27)17(26)10-22(13,4)24(19,32-20)18(30)11-25/h5-7,13-14,16-17,19H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChI key： VSVSLEMVVAYTQW-VSXGLTOVSA-N
SMILES： CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(O1)C(=O)CCl
Systematic name  (3)：
  • 9,11β,21-トリクロロ-6α-フルオロ-16α,17-[(1-メチルエチリデン)ビス(オキシ)]プレグナ-1,4-ジエン-3,20-ジオン
  • (1S,2S,4R,8S,9S,11S,12R,13S,19S)-11,12-ジクロロ-8-(2-クロロアセチル)-19-フルオロ-6,6,9,13-テトラメチル-5,7-ジオキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-14,17-ジエン-16-オン
  • (1S,2S,4R,8S,9S,11S,12R,13S,19S)-11,12-dichloro-8-(2-chloroacetyl)-19-fluoro-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Other name (4)：
  • トリクロニド
  • RS-4464
  • Triclonide
  • 9,11β,21-Trichloro-6α-fluoro-16α,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
CAS registry number： 26849-57-0
KEGG DRUG： D06225
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