Chem
J-GLOBAL ID：200907062933286040   Nikkaji number：J636.741K

Lissoclin A

リッソクリンA
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： C23H23N3O2S
Molecular formula furigana： C23-H23-N3-O2-S
Molecular weight： 405.520
InChI： InChI=1S/C23H23N3O2S/c1-13(2)12-18(27)24-10-9-16-20-19-15(14-6-4-5-7-17(14)26-20)8-11-25-21(19)22(28)23(16)29-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,24,27)
InChI key： CYSORIPWPDCIMV-UHFFFAOYSA-N
SMILES： CSC1=C(CCNC(=O)CC(C)C)c2nc3ccccc3c3ccnc(C1=O)c23
Systematic name  (3)：
  • 5-(メチルチオ)-6-[2-(イソバレリルアミノ)エチル]-4H-ピリド[2,3,4-kl]アクリジン-4-オン
  • 3-メチル-N-{2-[11-(メチルスルファニル)-12-オキソ-8,14-ジアザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(16),2,4,6,8,10,13(17),14-オクタエン-10-イル]エチル}ブタンアミド
  • 3-methyl-N-{2-[11-(methylsulfanyl)-12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,10,13(17),14-octaen-10-yl]ethyl}butanamide
Other name (3)：
  • リッソクリンA
  • Lissoclin A
  • 5-(Methylthio)-6-[2-(isovalerylamino)ethyl]-4H-pyrido[2,3,4-kl]acridin-4-one
CAS registry number： 158761-12-7
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