Chem
J-GLOBAL ID：201307068881135945   Nikkaji number：J3.151.331F

5-[7,8-Dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridine-10(2H)-yl]pentane-1,2,3,4-tetraol 1-(phosphoric acid sodium) salt

5-[7,8-ジメチル-2,4-ジオキソ-3,4-ジヒドロベンゾ[g]プテリジン-10(2H)-イル]ペンタン-1,2,3,4-テトラオール1-(りん酸ナトリウム)
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： C17H20N4NaO9P
Molecular formula furigana： C17-H20-N4-NA-O9-P
Molecular weight： 478.330
InChI： InChI=1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1
InChI key： OHSHFZJLPYLRIP-UHFFFAOYSA-M
SMILES： Cc1cc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)COP(=O)(O)O[Na])c2cc1C
Systematic name  (3)：
  • 5-[7,8-ジメチル-2,4-ジオキソ-3,4-ジヒドロベンゾ[g]プテリジン-10(2H)-イル]ペンタン-1,2,3,4-テトラオール1-(りん酸ナトリウム)
  • [(5-{7,8-ジメチル-2,4-ジオキソ-2H,3H,4H,10H-ベンゾ[g]プテリジン-10-イル}-2,3,4-トリヒドロキシペンチル)オキシ](ソジオオキシ)ホスフィン酸
  • [(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy](sodiooxy)phosphinic acid
Other name (1)：
  • 5-[7,8-Dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridine-10(2H)-yl]pentane-1,2,3,4-tetraol 1-(phosphoric acid sodium) salt
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