Chem
J-GLOBAL ID:200907010268469520   Nikkaji number:J444.339J

IABA

N-(3-ヨード-4-アミノベンジル)アデノシン
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: C17H19IN6O4
Molecular formula furigana: C17-H19-I-N6-O4
Molecular weight: 498.281
InChI: InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
InChI key: REGZQZHKIFOMRK-LSCFUAHRSA-N
SMILES: Nc1ccc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1I
Systematic name  (4):
  • N-(4-アミノ-3-ヨードベンジル)アデノシン
  • N-(3-ヨード-4-アミノベンジル)アデノシン
  • (2R,3R,4S,5R)-2-(6-{[(4-アミノ-3-ヨードフェニル)メチル]アミノ}-9H-プリン-9-イル)-5-(ヒドロキシメチル)オキソラン-3,4-ジオール
  • (2R,3R,4S,5R)-2-(6-{[(4-amino-3-iodophenyl)methyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Other name (2):
  • IABA
  • N-(3-Iodo-4-aminobenzyl)adenosine
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