Chem
J-GLOBAL ID：200907082839979181   Nikkaji number：J1.912.220D

Brasiliamide E

ブラシリアミドE
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： C22H26N2O4
Molecular formula furigana： C22-H26-N2-O4
Molecular weight： 382.460
InChI： InChI=1S/C22H26N2O4/c1-15(25)24-13-18(23-12-19(24)9-16-6-4-3-5-7-16)8-17-10-20(26-2)22-21(11-17)27-14-28-22/h3-7,10-11,18-19,23H,8-9,12-14H2,1-2H3/t18-,19-/m0/s1
InChI key： AZQJCMKZNJKNSU-OALUTQOASA-N
SMILES： COc1cc(C[C@H]2CN([C@@H](Cc3ccccc3)CN2)C(=O)C)cc2OCOc12
Systematic name  (3)：
  • 1-アセチル-2β-ベンジル-5β-(4-メトキシ-1,3-ベンゾジオキソール-6-イルメチル)ピペラジン
  • 1-[(2S,5S)-2-ベンジル-5-[(7-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)メチル]ピペラジン-1-イル]エタン-1-オン
  • 1-[(2S,5S)-2-benzyl-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethan-1-one
Other name (3)：
  • 1-Acetyl-2β-benzyl-5β-(4-methoxy-1,3-benzodioxole-6-ylmethyl)piperazine
  • ブラシリアミドE
  • Brasiliamide E
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