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Substance Name: Ketoprofen glucuronide
RN: 76690-94-3
InChIKey: PBTXSZZKPHBHMA-LYFYOZKASA-N

Note

  • Principal metabolite of ketoprofen.

Molecular Formula

  • C22-H22-O9

Molecular Weight

  • 430.4068
 
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Names and Synonyms

Name of Substance

  • Ketoprofen glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(3-benzoyl-alpha-methylbenzeneacetate)

Registry Numbers

CAS Registry Number

  • 76690-94-3

System Generated Number

  • 0076690943

Structure Descriptors

InChI

1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1

InChIKey

PBTXSZZKPHBHMA-LYFYOZKASA-N

Smiles

CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O