Chem
J-GLOBAL ID：201207013713691704   Nikkaji number：J3.118.395B

8-Desmethyl-8-bromomethylriboflavin

8-デスメチル-8-ブロモ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： C17H19BrN4O6
Molecular formula furigana： C17-H19-BR-N4-O6
Molecular weight： 455.265
InChI： InChI=1S/C17H19BrN4O6/c1-7-2-9-10(3-8(7)4-18)22(5-11(24)14(26)12(25)6-23)15-13(19-9)16(27)21-17(28)20-15/h2-3,11-12,14,23-26H,4-6H2,1H3,(H,21,27,28)/t11-,12+,14-/m0/s1
InChI key： JFOIECKXSIVTOE-SCRDCRAPSA-N
SMILES： Cc1cc2nc3c(nc(=O)[nH]c3=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1CBr
Systematic name  (3)：
  • 8-デスメチル-8-ブロモメチルリボフラビン
  • 8-(ブロモメチル)-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-(bromomethyl)-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-Desmethyl-8-bromomethylriboflavin
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