Chem
J-GLOBAL ID:200907022682402656   Nikkaji number:J377.529A

SHA-118

2-(4-メチルフェネチルオキシ)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: C19H23N5O5
Molecular formula furigana: C19-H23-N5-O5
Molecular weight: 401.423
InChI: InChI=1S/C19H23N5O5/c1-10-2-4-11(5-3-10)6-7-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)29-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)/t12-,14-,15-,18-/m1/s1
InChI key: SRWUHMQKNPGXOP-SCFUHWHPSA-N
SMILES: Cc1ccc(CCOc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
Systematic name  (6):
  • 2-[(4-メチルフェネチル)オキシ]アデノシン
  • 2-(4-メチルフェネチルオキシ)アデノシン
  • 2-[2-(4-メチルフェニル)エトキシ]アデノシン
  • 9-[3α,4α-ジヒドロキシ-5β-(ヒドロキシメチル)テトラヒドロフラン-2β-イル]-2-[2-(4-メチルフェニル)エトキシ]-9H-プリン-6-アミン
  • (2R,3R,4S,5R)-2-{6-アミノ-2-[2-(4-メチルフェニル)エトキシ]-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
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Other name (3):
  • 2-[2-(4-Methylphenyl)ethoxy]adenosine
  • SHA-118
  • 9-[3α,4α-Dihydroxy-5β-(hydroxymethyl)tetrahydrofuran-2β-yl]-2-[2-(4-methylphenyl)ethoxy]-9H-purine-6-amine
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