Chem
J-GLOBAL ID:201307071595880014   Nikkaji number:J3.215.207D

4-(2β-(6-Oxo-1,6-dihydro-9H-purine-9-yl)-3β-fluorotetrahydrofuran-5β-ylcarbonylamino)benzoic acid potassium salt

カリウム 4-[(2S,4S,5R)-4-フルオロ-5-(6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)オキソラン-2-アミド]ベンゾアート
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: C17H13FKN5O5
Molecular formula furigana: C17-H13-F-K-N5-O5
Molecular weight: 425.418
InChI: InChI=1S/C17H14FN5O5.K/c18-10-5-11(14(24)22-9-3-1-8(2-4-9)17(26)27)28-16(10)23-7-21-12-13(23)19-6-20-15(12)25;/h1-4,6-7,10-11,16H,5H2,(H,22,24)(H,26,27)(H,19,20,25);/q;+1/p-1/t10-,11-,16+;/m0./s1
InChI key: DRSBPBCNLCIRCZ-OATFVYTHSA-M
SMILES: F[C@H]1C[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)C(=O)Nc1ccc(cc1)C(=O)O[K]
Systematic name  (3):
  • 4-(2β-(6-オキソ-1,6-ジヒドロ-9H-プリン-9-イル)-3β-フルオロテトラヒドロフラン-5β-イルカルボニルアミノ)安息香酸カリウム
  • カリウム 4-[(2S,4S,5R)-4-フルオロ-5-(6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)オキソラン-2-アミド]ベンゾアート
  • potassium 4-[(2S,4S,5R)-4-fluoro-5-(6-oxo-6,9-dihydro-1H-purin-9-yl)oxolane-2-amido]benzoate
Other name (1):
  • 4-(2β-(6-Oxo-1,6-dihydro-9H-purine-9-yl)-3β-fluorotetrahydrofuran-5β-ylcarbonylamino)benzoic acid potassium salt
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