Chem
J-GLOBAL ID：200907051737965175   Nikkaji number：J325.899H

TMK-777

TMK-777
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： C32H36N2O4
Molecular formula furigana： C32-H36-N2-O4
Molecular weight： 512.650
InChI： InChI=1S/C32H36N2O4/c1-37-30-24-25(16-17-29(30)35)10-8-9-15-31(36)33-20-23-34-21-18-28(19-22-34)38-32(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,24,28,32,35H,18-23H2,1H3,(H,33,36)
InChI key： JQBGXQUXDFQQNI-UHFFFAOYSA-N
SMILES： COc1cc(C=CC=CC(=O)NCCN2CCC(CC2)OC(c2ccccc2)c2ccccc2)ccc1O
Systematic name  (3)：
  • 1-[2-[[5-(3-メトキシ-4-ヒドロキシフェニル)-1-オキソ-2,4-ペンタジエニル]アミノ]エチル]-4-(ジフェニルメトキシ)ピペリジン
  • N-{2-[4-(ジフェニルメトキシ)ピペリジン-1-イル]エチル}-5-(4-ヒドロキシ-3-メトキシフェニル)ペンタ-2,4-ジエンアミド
  • N-{2-[4-(diphenylmethoxy)piperidin-1-yl]ethyl}-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
Other name (2)：
  • TMK-777
  • 1-[2-[[5-(3-Methoxy-4-hydroxyphenyl)-1-oxo-2,4-pentadienyl]amino]ethyl]-4-(diphenylmethoxy)piperidine
CAS registry number： 101619-11-8
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