Chem
J-GLOBAL ID：200907029892838699   Nikkaji number：J2.082.400J

TAK-475

TAK-475
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： C33H41ClN2O9
Molecular formula furigana： C33-H41-CL-N2-O9
Molecular weight： 645.150
InChI： InChI=1S/C33H41ClN2O9/c1-20(37)44-19-33(2,3)18-36-24-10-7-9-23(34)29(24)31(22-8-6-11-25(42-4)30(22)43-5)45-26(32(36)41)17-27(38)35-14-12-21(13-15-35)16-28(39)40/h6-11,21,26,31H,12-19H2,1-5H3,(H,39,40)/t26-,31-/m1/s1
InChI key： TVUPYMOBFRGXQZ-MXBOTTGLSA-N
SMILES： COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)O)CC3)C(=O)N(CC(C)(C)COC(=O)C)c3cccc(Cl)c23)c1OC
Systematic name  (3)：
  • 1-[2-[[(3R)-1-(3-アセトキシ-2,2-ジメチルプロピル)-2-オキソ-5α-(2,3-ジメトキシフェニル)-6-クロロ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン]-3β-イル]アセチル]ピペリジン-4-酢酸
  • 2-(1-{2-[(3R,5R)-1-[3-(アセチルオキシ)-2,2-ジメチルプロピル]-6-クロロ-5-(2,3-ジメトキシフェニル)-2-オキソ-1,2,3,5-テトラヒドロ-4,1-ベンゾオキサゼピン-3-イル]アセチル}ピペリジン-4-イル)酢酸
  • 2-(1-{2-[(3R,5R)-1-[3-(acetyloxy)-2,2-dimethylpropyl]-6-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}piperidin-4-yl)acetic acid
Other name (2)：
  • 1-[2-[[(3R)-1-(3-Acetoxy-2,2-dimethylpropyl)-2-oxo-5α-(2,3-dimethoxyphenyl)-6-chloro-1,2,3,5-tetrahydro-4,1-benzoxazepine]-3β-yl]acetyl]piperidine-4-acetic acid
  • TAK-475
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