Chem
J-GLOBAL ID：200907058548694521   Nikkaji number：J2.312.300B

NK-2776

4-[4-[4-(3-ヘキシル-4-オキソ-2-チオキソチアゾリジン-5-イリデン)-2-ブテニリデン]-1,4-ジヒドロキノリン-1-イル]-1-ブタンスルホン酸ナトリウム
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： C26H31N2NaO4S3
Molecular formula furigana： C26-H31-N2-NA-O4-S3
Molecular weight： 554.710
InChI： InChI=1S/C26H32N2O4S3.Na/c1-2-3-4-9-18-28-25(29)24(34-26(28)33)15-8-5-12-21-16-19-27(17-10-11-20-35(30,31)32)23-14-7-6-13-22(21)23;/h5-8,12-16,19H,2-4,9-11,17-18,20H2,1H3,(H,30,31,32);/q;+1/p-1
InChI key： MNMDJYPQOMXDRY-UHFFFAOYSA-M
SMILES： CCCCCCN1C(=S)SC(=CC=CC=c2ccn(CCCCS(=O)(=O)O[Na])c3ccccc23)C1=O
Systematic name  (3)：
  • 4-[4-[4-(3-ヘキシル-4-オキソ-2-チオキソチアゾリジン-5-イリデン)-2-ブテニリデン]-1,4-ジヒドロキノリン-1-イル]-1-ブタンスルホン酸ナトリウム
  • ナトリウム 4-{4-[4-(3-ヘキシル-4-オキソ-2-スルファニリデン-1,3-チアゾリジン-5-イリデン)ブタ-2-エン-1-イリデン]-1,4-ジヒドロキノリン-1-イル}ブタン-1-スルホナート
  • sodium 4-{4-[4-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-en-1-ylidene]-1,4-dihydroquinolin-1-yl}butane-1-sulfonate
Other name (2)：
  • 4-[4-[4-(3-Hexyl-4-oxo-2-thioxothiazolidine-5-ylidene)-2-butenylidene]-1,4-dihydroquinoline-1-yl]-1-butanesulfonic acid sodium salt
  • NK-2776
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