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Substance Name: Suprofen acyl glucuronide
RN: 96740-53-3
InChIKey: KXXLFSMVJNYZFS-KQCAFMOFSA-N

Note

  • A metabolite of suprofen.

Molecular Formula

  • C20-H20-O9-S

Molecular Weight

  • 436.435
 
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Names and Synonyms

Name of Substance

  • Suprofen acyl glucuronide

Synonym

  • Suprofen glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(alpha-methyl-4-(2-thienylcarbonyl)benzeneacetate)

Registry Numbers

CAS Registry Number

  • 96740-53-3

System Generated Number

  • 0096740533

Structure Descriptors

InChI

1S/C20H20O9S/c1-9(10-4-6-11(7-5-10)13(21)12-3-2-8-30-12)19(27)29-20-16(24)14(22)15(23)17(28-20)18(25)26/h2-9,14-17,20,22-24H,1H3,(H,25,26)/t9?,14-,15-,16+,17-,20-/m0/s1

InChIKey

KXXLFSMVJNYZFS-KQCAFMOFSA-N

Smiles

c1csc(c1)C(c1ccc(cc1)[C@@H](C)C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)=O)=O