Chem
J-GLOBAL ID:200907030886901034   Nikkaji number:J1.402.392E

Purvalanol B

プルバラノールB
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: C20H25ClN6O3
Molecular formula furigana: C20-H25-CL-N6-O3
Molecular weight: 432.910
InChI: InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
InChI key: ZKDXRFMOHZVXSG-HNNXBMFYSA-N
SMILES: CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1
Systematic name  (4):
  • 2-クロロ-4-[[2-[[(R)-1-(ヒドロキシメチル)-2-メチルプロピル]アミノ]-9-イソプロピル-9H-プリン-6-イル]アミノ]安息香酸
  • 2-[[(R)-1-イソプロピル-2-ヒドロキシエチル]アミノ]6-(3-クロロ-4-カルボキシアニリノ)-9-イソプロピル-9H-プリン
  • 2-クロロ-4-[(2-{[(2R)-1-ヒドロキシ-3-メチルブタン-2-イル]アミノ}-9-(プロパン-2-イル)-9H-プリン-6-イル)アミノ]安息香酸
  • 2-chloro-4-[(2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl)amino]benzoic acid
Other name (4):
  • 2-Chloro-4-[[2-[[(R)-1-(hydroxymethyl)-2-methylpropyl]amino]-9-isopropyl-9H-purine-6-yl]amino]benzoic acid
  • プルバラノールB
  • Purvalanol B
  • 2-[[(R)-1-Isopropyl-2-hydroxyethyl]amino]6-(3-chloro-4-carboxyanilino)-9-isopropyl-9H-purine
Thsaurus map:

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