Ketoprofen glucuronide
CAS Registry Number®
76690-94-3
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CAS Name
Ketoprofen glucuronideMolecular Formula
C22H22O9Molecular Mass
430.40Cite this Page
Ketoprofen glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=76690-94-3 (retrieved ) (CAS RN: 76690-94-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey=PBTXSZZKPHBHMA-LYFYOZKASA-N
SMILES
O(C(C(C)C1=CC(C(=O)C2=CC=CC=C2)=CC=C1)=O)[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O
Canonical SMILES
O=C(O)C1OC(OC(=O)C(C=2C=CC=C(C2)C(=O)C=3C=CC=CC3)C)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranuronic acid, 1-(3-benzoyl-α-methylbenzeneacetate)
- dl-Ketoprofen glucuronide
- (±)-Ketoprofen glucuronide
- Ketoprofen glucuronide
