Chem
J-GLOBAL ID:200907050827467445   Nikkaji number:J1.504.384I

4-[[[10-(3-Sulfonatopropyl)acridine-10-ium]-9-ylcarbonyl]tosylamino]butanoic acid

4-[[[10-(3-スルホナトプロピル)アクリジン-10-イウム]-9-イルカルボニル]トシルアミノ]ブタン酸
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: C28H28N[N+]O7[O-]S2
Molecular formula furigana: C28-H28-N2-O8-S2
Molecular weight: 584.660
InChI: InChI=1S/C28H28N2O8S2/c1-20-13-15-21(16-14-20)40(37,38)30(18-6-12-26(31)32)28(33)27-22-8-2-4-10-24(22)29(17-7-19-39(34,35)36)25-11-5-3-9-23(25)27/h2-5,8-11,13-16H,6-7,12,17-19H2,1H3,(H-,31,32,34,35,36)
InChI key: VYTOBATYLKBDAR-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)N(CCCC(=O)O)C(=O)c1c2ccccc2[n+](CCCS(=O)(=O)[O-])c2ccccc12
Systematic name  (4):
  • 4-[[10-(3-スルホナトプロピル)アクリジン-10-イウム]-9-イルカルボニル(p-メチルフェニルスルホニル)アミノ]酪酸
  • 4-[[[10-(3-スルホナトプロピル)アクリジン-10-イウム]-9-イルカルボニル]トシルアミノ]ブタン酸
  • 9-[(3-カルボキシプロピル)(4-メチルベンゼンスルホニル)カルバモイル]-10-(3-スルホナトプロピル)アクリジン-10-イウム
  • 9-[(3-carboxypropyl)(4-methylbenzenesulfonyl)carbamoyl]-10-(3-sulfonatopropyl)acridin-10-ium
Other name (2):
  • 4-[[10-(3-Sulfonatopropyl)acridine-10-ium]-9-ylcarbonyl(p-methylphenylsulfonyl)amino]butyric acid
  • 4-[[[10-(3-Sulfonatopropyl)acridine-10-ium]-9-ylcarbonyl]tosylamino]butanoic acid
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