Chem
J-GLOBAL ID:200907066940919968
Nikkaji number:J2.312.301K
NK-3225
3-[4-[4-(3-ブチル-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-プロパンスルホン酸ナトリウム
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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:
C23 H25 N2 NaO4 S3
Molecular formula furigana:
C23-H25-N2-NA-O4-S3
Molecular weight:
512.630
InChI:
InChI=1S/C23H26N2O4S3.Na/c1-2-3-15-25-22(26)21(31-23(25)30)12-7-4-9-18-13-16-24(14-8-17-32(27,28)29)20-11-6-5-10-19(18)20;/h4-7,9-13,16H,2-3,8,14-15,17H2,1H3,(H,27,28,29);/q;+1/p-1
InChI key:
AXIFRPWXMIDJKD-UHFFFAOYSA-M
SMILES:
CCCCN1C(=S)SC(=CC=CC=c2ccn(CCCS(=O)(=O)O[Na])c3ccccc23)C1=O
Systematic name (3):
3-[4-[4-(3-ブチル-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-プロパンスルホン酸ナトリウム
ナトリウム 3-{4-[4-(3-ブチル-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}プロパン-1-スルホナート
sodium 3-{4-[4-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)but-2-en-1-ylidene]-1,4-dihydroquinolin-1-yl}propane-1-sulfonate
Other name (2):
3-[4-[4-(3-Butyl-4-oxo-2-thioxothiazolidine-5-ylidene)-2-butenylidene]-1,4-dihydroquinoline-1-yl]-1-propanesulfonic acid sodium salt
NK-3225
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