Chem
J-GLOBAL ID：200907055356839250   Nikkaji number：J1.138.869H

TAK-779

TAK-779
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： C33H39N[N+]O2
Molecular formula furigana： C33-H39-N2-O2
Molecular weight： 495.686
InChI： InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
InChI key： XNHZXMPLVSJQFK-UHFFFAOYSA-O
SMILES： Cc1ccc(cc1)c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1
Systematic name  (7)：
  • [4-[[[6,7-ジヒドロ-2-(4-メチルフェニル)-5H-ベンゾシクロヘプテン]-8-イル]カルボニルアミノ]ベンジル]ジメチル[(テトラヒドロ-2H-ピラン)-4-イル]アミニウム
  • [4-[[[3-(4-メチルフェニル)-8,9-ジヒドロ-7H-ベンゾシクロヘプテン]-6-イル]カルボニルアミノ]ベンジル][(テトラヒドロ-2H-ピラン)-4-イル]ジメチルアミニウム
  • 4-[[3-(4-メチルフェニル)-8,9-ジヒドロ-7H-ベンゾシクロヘプテン-6-イル]カルボニルアミノ]ベンジル(テトラヒドロ-2H-ピラン-4-イル)ジメチルアミニウム
  • テトラヒドロ-2H-ピラン-4-イル[4-(3-p-トリル-8,9-ジヒドロ-7H-ベンゾシクロヘプテン-6-イルカルボニルアミノ)ベンジル]ジメチルアミニウム
  • N-[4-[[ジメチル(テトラヒドロ-2H-ピラン-4-イル)アミニオ]メチル]フェニル]-2-(4-メチルフェニル)-5,6-ジヒドロ-7H-ベンゾシクロヘプテン-8-カルボアミド
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Other name (7)：
  • [4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocycloheptene]-8-yl]carbonylamino]benzyl]dimethyl[(tetrahydro-2H-pyran)-4-yl]aminium
  • TAK-779
  • [4-[[[3-(4-Methylphenyl)-8,9-dihydro-7H-benzocycloheptene]-6-yl]carbonylamino]benzyl][(tetrahydro-2H-pyran)-4-yl]dimethylaminium
  • 4-[[3-(4-Methylphenyl)-8,9-dihydro-7H-benzocycloheptene-6-yl]carbonylamino]benzyl(tetrahydro-2H-pyran-4-yl)dimethylaminium
  • Tetrahydro-2H-pyran-4-yl[4-(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-ylcarbonylamino)benzyl]dimethylaminium
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