Chem
J-GLOBAL ID：201307069188981081   Nikkaji number：J3.215.205H

4-(3-(2-Chloro-6-amino-9H-purine-9-yl)propanoylamino)benzoic acid potassium salt

4-(3-(2-クロロ-6-アミノ-9H-プリン-9-イル)プロパノイルアミノ)安息香酸カリウム
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： C15H12ClKN6O3
Molecular formula furigana： C15-H12-CL-K-N6-O3
Molecular weight： 398.850
InChI： InChI=1S/C15H13ClN6O3.K/c16-15-20-12(17)11-13(21-15)22(7-18-11)6-5-10(23)19-9-3-1-8(2-4-9)14(24)25;/h1-4,7H,5-6H2,(H,19,23)(H,24,25)(H2,17,20,21);/q;+1/p-1
InChI key： FBOFJRSAAVKWQH-UHFFFAOYSA-M
SMILES： Nc1nc(Cl)nc2n(CCC(=O)Nc3ccc(cc3)C(=O)O[K])cnc12
Systematic name  (3)：
  • 4-(3-(2-クロロ-6-アミノ-9H-プリン-9-イル)プロパノイルアミノ)安息香酸カリウム
  • カリウム 4-[3-(6-アミノ-2-クロロ-9H-プリン-9-イル)プロパンアミド]ベンゾアート
  • potassium 4-[3-(6-amino-2-chloro-9H-purin-9-yl)propanamido]benzoate
Other name (1)：
  • 4-(3-(2-Chloro-6-amino-9H-purine-9-yl)propanoylamino)benzoic acid potassium salt
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