Chem
J-GLOBAL ID：200907010400518217   Nikkaji number：J398.544J

T-506

T-506
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： C32H56FN2[N+]O9P
Molecular formula furigana： C32-H56-F-N3-O9-P
Molecular weight： 676.784
InChI： InChI=1S/C32H55FN3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(37)45-27-23-29(35-24-26(33)31(38)34-32(35)39)44-28(27)25-43-46(40,41)42-22-21-36(2,3)4/h12-13,24,27-29H,5-11,14-23,25H2,1-4H3,(H-,34,38,39,40,41)/p+1/b13-12-/t27-,28+,29+/m0/s1
InChI key： JLGWAGKPIWGUEH-NGLMKZPHSA-O
SMILES： CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)OCC[N+](C)(C)C)n1cc(F)c(=O)[nH]c1=O
Systematic name  (3)：
  • 5-フルオロ-2′-デオキシ-3′-O-オレオイルウリジン5′-[りん酸2-(トリメチルアミニオ)エチル]
  • {[(2R,3S,5R)-5-(5-フルオロ-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3-[(9Z)-オクタデカ-9-エノイルオキシ]オキソラン-2-イル]メトキシ}[2-(トリメチルアザニウミル)エトキシ]ホスフィン酸
  • {[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-[(9Z)-octadec-9-enoyloxy]oxolan-2-yl]methoxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (2)：
  • T-506
  • 5-Fluoro-2′-deoxy-3′-O-oleoyluridine 5′-[phosphoric acid 2-(trimethylaminio)ethyl] ester
Application (1)：
antitumor drug
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