1-Salicylate glucuronide (2S,3S,4S,5R,6S)-6-(2-羧基苯氧基)-3,4,5-三羟基四氢-2H-吡喃-2-羧酸

CAS 7695-70-7 MFCD02682888

化学结构图

7695-70-7
SMILES: O=C(O)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

化学属性

Mol. FormulaC13H14O9
Mol. Weight314.24
Melting Point131-133 °C

别名和识别编码

Chemical Name1-Salicylate glucuronide
CAS Number7695-70-7
Synonym (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {} {} {LY} (2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} (2S
Chemical Name Translation(2S,3S,4S,5R,6S)-6-(2-羧基苯氧基)-3,4,5-三羟基四氢-2H-吡喃-2-羧酸
InChIKeyJSCWDKKMLIQCMR-CDHFTJPESA-N
PubChem Substance ID3084023
InChIInChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
LabNetwork Molecule IDLN04669783
MDL Number
Canonical SMILESO=C(O)C1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O2)O)O)O
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分类

  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals,

产品应用

  • Salicylic Acid ?-D-O-Glucuronide is a metabolite of Acetylsalicylic Acid (Aspirin) (A187780).

相关文献及参考

  • Grootveld, M., et al.: Biochem. Pharmacol., 37, 271

安全信息

Storage condition

系列性分类

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