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Substance Name: Gemfibrozil 1-O-acylglucuronide
RN: 91683-38-4
UNII: 954F30WZ3Y
InChIKey: CJMNXSKEVNPQOK-LVEJAMMSSA-N

Note

  • Urinary metabolite of gemfibrozil.

Molecular Formula

  • C21-H30-O9

Molecular Weight

  • 426.459
 
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Names and Synonyms

Name of Substance

  • Gemfibrozil 1-O-acylglucuronide

Synonyms

  • 1-O-Gemfibrozil-beta-D-glucuronide
  • UNII-954F30WZ3Y

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate)

Registry Numbers

CAS Registry Number

  • 91683-38-4

FDA UNII

  • 954F30WZ3Y

System Generated Number

  • 0091683384

Structure Descriptors

InChI

1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1

InChIKey

CJMNXSKEVNPQOK-LVEJAMMSSA-N

Smiles

c1c(c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)cc(C)c1)C