Chem
J-GLOBAL ID：200907095817182950   Nikkaji number：J636.742I

Lissoclin B

リッソクリンB
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： C23H21N3O2S
Molecular formula furigana： C23-H21-N3-O2-S
Molecular weight： 403.500
InChI： InChI=1S/C23H21N3O2S/c1-4-13(2)23(28)25-12-10-16-19-18-15(14-7-5-6-8-17(14)26-19)9-11-24-20(18)21(27)22(16)29-3/h4-9,11H,10,12H2,1-3H3,(H,25,28)/b13-4+
InChI key： WXEMIYSXZJPISS-YIXHJXPBSA-N
SMILES： CSC1=C(CCNC(=O)/C(=C/C)/C)c2nc3ccccc3c3ccnc(C1=O)c23
Systematic name  (3)：
  • 5-(メチルチオ)-6-[2-[[(E)-1-オキソ-2-メチル-2-ブテニル]アミノ]エチル]-4H-ピリド[2,3,4-kl]アクリジン-4-オン
  • (2E)-2-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-2-エンアミド
  • (2E)-2-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}but-2-enamide
Other name (3)：
  • リッソクリンB
  • Lissoclin B
  • 5-(Methylthio)-6-[2-[[(E)-1-oxo-2-methyl-2-butenyl]amino]ethyl]-4H-pyrido[2,3,4-kl]acridin-4-one
CAS registry number： 158761-13-8
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