Chem
J-GLOBAL ID：200907040036026717   Nikkaji number：J634.558A

AMD-3068

1,1′-(5-ニトロ-1,3-フェニレンビスメチレン)ビス(1,4,8,11-テトラアザシクロテトラデカン)
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： C28H53N8[N+]O[O-]
Molecular formula furigana： C28-H53-N9-O2
Molecular weight： 547.793
InChI： InChI=1S/C28H53N9O2/c38-37(39)28-22-26(24-35-17-3-9-31-13-11-29-5-1-7-33-15-19-35)21-27(23-28)25-36-18-4-10-32-14-12-30-6-2-8-34-16-20-36/h21-23,29-34H,1-20,24-25H2
InChI key： PEVCHIZAJILPKB-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc(CN2CCCNCCNCCCNCC2)cc(CN2CCCNCCNCCCNCC2)c1
Systematic name  (5)：
  • 1,1′-[(5-ニトロ-m-フェニレン)ビスメチレン]ビス(1,4,8,11-テトラアザシクロテトラデカン)
  • 1,1′-[(5-ニトロ-1,3-フェニレン)ビスメチレン]ビス(1,4,8,11-テトラアザシクロテトラデカン)
  • 1,1′-(5-ニトロ-1,3-フェニレンビスメチレン)ビス(1,4,8,11-テトラアザシクロテトラデカン)
  • 1-({3-ニトロ-5-[(1,4,8,11-テトラアザシクロテトラデカン-1-イル)メチル]フェニル}メチル)-1,4,8,11-テトラアザシクロテトラデカン
  • 1-({3-nitro-5-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane
Other name (4)：
  • 1,1′-[(5-Nitro-1,3-phenylene)bismethylene]bis(1,4,8,11-tetraazacyclotetradecane)
  • 1,1′-[(5-Nitro-m-phenylene)bismethylene]bis(1,4,8,11-tetraazacyclotetradecane)
  • 1,1′-(5-Nitro-1,3-phenylenebismethylene)bis(1,4,8,11-tetraazacyclotetradecane)
  • AMD-3068
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