Chem
J-GLOBAL ID：200907039587926869   Nikkaji number：J992.093E

CGP-42700

2-ベンジル-2,3,10,11,12,13-ヘキサヒドロ-10β-メトキシ-9-メチル-11β-[メチル(ベンゾイル)アミノ]-9β,13β-エポキシ-1H,9H-ジインドロ[1,2,3-gh:3′,2′,1′-lm]ピロロ[3,4-j][1,7]ベンゾジアゾニン-1-オン
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： C42H36N4O4
Molecular formula furigana： C42-H36-N4-O4
Molecular weight： 660.774
InChI： InChI=1S/C42H36N4O4/c1-42-39(49-3)32(43(2)40(47)26-16-8-5-9-17-26)22-33(50-42)45-30-20-12-10-18-27(30)35-36-29(24-44(41(36)48)23-25-14-6-4-7-15-25)34-28-19-11-13-21-31(28)46(42)38(34)37(35)45/h4-21,32-33,39H,22-24H2,1-3H3/t32-,33+,39-,42-/m0/s1
InChI key： ABNYYFBELSVSNV-URGGTLMISA-N
SMILES： CO[C@H]1[C@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CN(Cc5ccccc5)C(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Systematic name  (3)：
  • 2-ベンジル-2,3,10,11,12,13-ヘキサヒドロ-10β-メトキシ-9-メチル-11β-[メチル(ベンゾイル)アミノ]-9β,13β-エポキシ-1H,9H-ジインドロ[1,2,3-gh:3′,2′,1′-lm]ピロロ[3,4-j][1,7]ベンゾジアゾニン-1-オン
  • N-[(2S,3S,4S,6R)-17-ベンジル-3-メトキシ-2-メチル-16-オキソ-29-オキサ-1,7,17-トリアザオクタシクロ[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]ノナコサ-8,10,12,14(28),15(19),20(27),21(26),22,24-ノナエン-4-イル]-N-メチルベンズアミド
  • N-[(2S,3S,4S,6R)-17-benzyl-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methylbenzamide
Other name (2)：
  • 2-Benzyl-2,3,10,11,12,13-hexahydro-10β-methoxy-9-methyl-11β-[methyl(benzoyl)amino]-9β,13β-epoxy-1H,9H-diindolo[1,2,3-gh:3′,2′,1′-lm]pyrrolo[3,4-j][1,7]benzodiazonine-1-one
  • CGP-42700
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