Chem
J-GLOBAL ID：200907068232358100   Nikkaji number：J16.033D

Metrifudil

メトリフジル
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： C18H21N5O4
Molecular formula furigana： C18-H21-N5-O4
Molecular weight： 371.397
InChI： InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
InChI key： OOEMZCZWZXHBKW-SCFUHWHPSA-N
SMILES： Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Systematic name  (5)：
  • 6-(2-メチルベンジルアミノ)-9-β-D-リボフラノシル-9H-プリン
  • N-[(2-メチルフェニル)メチル]アデノシン
  • N-(2-メチルベンジル)アデノシン
  • (2R,3S,4R,5R)-2-(ヒドロキシメチル)-5-(6-{[(2-メチルフェニル)メチル]アミノ}-9H-プリン-9-イル)オキソラン-3,4-ジオール
  • (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(2-methylphenyl)methyl]amino}-9H-purin-9-yl)oxolane-3,4-diol
Other name (6)：
  • メトリフジル
  • Th-322
  • Metrifudil
  • 6-(2-Methylbenzylamino)-9-β-D-ribofuranosyl-9H-purine
  • N-[(2-Methylphenyl)methyl]adenosine
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CAS registry number： 23707-33-7
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