Chem
J-GLOBAL ID：200907014028651911   Nikkaji number：J601.112H

8-Chloro-8-demethylriboflavin

8-クロロ-8-デメチルリボフラビン
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： C16H17ClN4O6
Molecular formula furigana： C16-H17-CL-N4-O6
Molecular weight： 396.780
InChI： InChI=1S/C16H17ClN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1
InChI key： JANFBIHPDDCAJV-LOWVWBTDSA-N
SMILES： Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1Cl
Systematic name  (3)：
  • 8-クロロ-8-デメチルリボフラビン
  • 8-クロロ-7-メチル-10-[(2S,3S,4R)-2,3,4,5-テトラヒドロキシペンチル]-2H,3H,4H,10H-ベンゾ[g]プテリジン-2,4-ジオン
  • 8-chloro-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
Other name (1)：
  • 8-Chloro-8-demethylriboflavin
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