Chem
J-GLOBAL ID:200907074567660455   Nikkaji number:J732.129E

SN-6999

SN-6999
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: C29H27N3[N+]2O
Molecular formula furigana: C29-H27-N5-O
Molecular weight: 461.568
InChI: InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2
InChI key: PMCURUPNDHFYCG-UHFFFAOYSA-P
SMILES: C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccccc45)cc3)cc2)cc1
Systematic name  (4):
  • 1-メチル-4-[[4-[N-[4-[(1-メチルピリジニウム-4-イル)アミノ]フェニル]カルバモイル]フェニル]アミノ]キノリニウム
  • 1-メチル-4-[[4-[[[4-[(1-メチルピリジニウム-4-イル)アミノ]フェニル]アミノ]カルボニル]フェニル]アミノ]キノリニウム
  • 1-メチル-4-{[4-({4-[(1-メチルピリジン-1-イウム-4-イル)アミノ]フェニル}カルバモイル)フェニル]アミノ}キノリン-1-イウム
  • 1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolin-1-ium
Other name (3):
  • SN-6999
  • 1-Methyl-4-[[4-[N-[4-[(1-methylpyridinium-4-yl)amino]phenyl]carbamoyl]phenyl]amino]quinolinium
  • 1-Methyl-4-[[4-[[[4-[(1-methylpyridinium-4-yl)amino]phenyl]amino]carbonyl]phenyl]amino]quinolinium
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