Chem
J-GLOBAL ID：200907012031690860   Nikkaji number：J2.084.974F

Lissoclibadin 1

リッソクリバジン1
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： C39H57N3O6S7
Molecular formula furigana： C39-H57-N3-O6-S7
Molecular weight： 888.320
InChI： InChI=1S/C39H57N3O6S7/c1-40(2)19-16-22-31(49-13)25(43-7)28(46-10)37-34(22)52-38-29(47-11)26(44-8)32(50-14)23(17-20-41(3)4)35(38)54-55-36-24(18-21-42(5)6)33(51-15)27(45-9)30(48-12)39(36)53-37/h16-21H2,1-15H3
InChI key： SYYGQWWWVKVZAF-UHFFFAOYSA-N
SMILES： COc1c(OC)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c(CCN(C)C)c1SC
Systematic name  (3)：
  • 6,6′-ジチオ[1,1′-[3,4-ジメトキシ-5-(メチルチオ)-6-[2-(ジメチルアミノ)エチル]-1,2-フェニレンビスチオ]ビス[2,3-ジメトキシ-4-(メチルチオ)-5-[2-(ジメチルアミノ)エチル]ベンゼン]]
  • (2-{7,19-ビス[2-(ジメチルアミノ)エチル]-4,5,11,12,21,22-ヘキサメトキシ-6,13,20-トリス(メチルスルファニル)-2,9,16,17-テトラチアテトラシクロ[16.4.0.03,8.010,15]ドコサ-1(22),3,5,7,10,12,14,18,20-ノナエン-14-イル}エチル)ジメチルアミン
  • (2-{7,19-bis[2-(dimethylamino)ethyl]-4,5,11,12,21,22-hexamethoxy-6,13,20-tris(methylsulfanyl)-2,9,16,17-tetrathiatetracyclo[16.4.0.03,8.010,15]docosa-1(22),3,5,7,10,12,14,18,20-nonaen-14-yl}ethyl)dimethylamine
Other name (3)：
  • 6,6′-Dithio[1,1′-[3,4-dimethoxy-5-(methylthio)-6-[2-(dimethylamino)ethyl]-1,2-phenylenebisthio]bis[2,3-dimethoxy-4-(methylthio)-5-[2-(dimethylamino)ethyl]benzene]]
  • リッソクリバジン1
  • Lissoclibadin 1
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