Chem
J-GLOBAL ID:200907049903602758   Nikkaji number:J1.552.233J

N-[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12,16-trimethyl-7α-cyano-6α,15α-epimino-6,7,9,14,14aα,15-hexahydro-5H-isoquino[3,2-b][3]benzazocine-9β-yl]methyl]pyridine-2-carboxamide

N-[[(6S)-1,10-ジヒドロキシ-2,4,11,13-テトラメトキシ-3,12,16-トリメチル-7α-シアノ-6α,15α-エピミノ-6,7,9,14,14aα,15-ヘキサヒドロ-5H-イソキノ[3,2-b][3]ベンゾアゾシン-9β-イル]メチル]ピリジン-2-カルボアミド
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: C34H39N5O7
Molecular formula furigana: C34-H39-N5-O7
Molecular weight: 629.714
InChI: InChI=1S/C34H39N5O7/c1-16-30(43-4)18-13-22-27-26-19(31(44-5)17(2)33(46-7)29(26)41)12-21(38(27)3)23(14-35)39(22)24(25(18)28(40)32(16)45-6)15-37-34(42)20-10-8-9-11-36-20/h8-11,21-24,27,40-41H,12-13,15H2,1-7H3,(H,37,42)/t21-,22-,23-,24-,27-/m0/s1
InChI key: VMQCEVZDUOWTTA-MEJRXMRQSA-N
SMILES: COc1c(C)c(OC)c2C[C@H]3[C@@H]4N(C)[C@@H](Cc5c(OC)c(C)c(OC)c(O)c45)[C@H](C#N)N3[C@@H](CNC(=O)c3ccccn3)c2c1O
Systematic name  (3):
  • N-[[(6S)-1,10-ジヒドロキシ-2,4,11,13-テトラメトキシ-3,12,16-トリメチル-7α-シアノ-6α,15α-エピミノ-6,7,9,14,14aα,15-ヘキサヒドロ-5H-イソキノ[3,2-b][3]ベンゾアゾシン-9β-イル]メチル]ピリジン-2-カルボアミド
  • N-{[(1R,2S,10R,12R,13S)-12-シアノ-8,19-ジヒドロキシ-5,7,16,18-テトラメトキシ-6,17,21-トリメチル-11,21-ジアザペンタシクロ[11.7.1.02,11.04,9.015,20]ヘンイコサ-4,6,8,15,17,19-ヘキサエン-10-イル]メチル}ピリジン-2-カルボキサミド
  • N-{[(1R,2S,10R,12R,13S)-12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4,6,8,15,17,19-hexaen-10-yl]methyl}pyridine-2-carboxamide
Other name (1):
  • N-[[(6S)-1,10-Dihydroxy-2,4,11,13-tetramethoxy-3,12,16-trimethyl-7α-cyano-6α,15α-epimino-6,7,9,14,14aα,15-hexahydro-5H-isoquino[3,2-b][3]benzazocine-9β-yl]methyl]pyridine-2-carboxamide
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