Chem
J-GLOBAL ID：200907037287010290   Nikkaji number：J272.613K

1,3-Dipropyl-8-(4-sulfophenyl)xanthine

1,3-ジプロピル-8-(4-スルホフェニル)キサンチン
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： C17H20N4O5S
Molecular formula furigana： C17-H20-N4-O5-S
Molecular weight： 392.430
InChI： InChI=1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
InChI key： IWALGNIFYOBRKC-UHFFFAOYSA-N
SMILES： CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)c1ccc(cc1)S(=O)(=O)O
Systematic name  (8)：
  • 4-[(2,3,6,7-テトラヒドロ-1,3-ジプロピル-2,6-ジオキソ-1H-プリン)-8-イル]ベンゼンスルホン酸
  • 4-(1,3-ジプロピルキサンチン-8-イル)ベンゼンスルホン酸
  • 1,3-ジプロピル-8-(4-スルホフェニル)キサンチン
  • 1,3-ジプロピル-8-(p-スルホフェニル)キサンチン
  • 4-[(1,3-ジプロピル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン)-8-イル]ベンゼンスルホン酸
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Other name (5)：
  • 1,3-Dipropyl-8-(p-sulfophenyl)xanthine
  • 1,3-Dipropyl-8-(4-sulfophenyl)xanthine
  • DPSPX
  • 8-(p-Sulfophenyl)-1,3-dipropylxanthine
  • 4-[(1,3-Dipropyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]benzenesulfonic acid
CAS registry number： 89073-57-4
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