32494

3-Hydroxyibuprofen

VETRANAL^®, analytical standard

• Synonym(s): 2-[4-(3-Hydroxy-2-methylpropyl)phenyl]propionic acid
• Empirical Formula (Hill Notation): C₁₃H₁₈O₃
• CAS Number: 53949-54-5
• Molecular Weight: 222.28
• Beilstein/REAXYS Number: 9848786
• MDL number: MFCD19686976
• UNSPSC Code: 41116107
• PubChem Substance ID: 329754247
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• product line: VETRANAL^®
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• application(s): forensics and toxicology; pharmaceutical (small molecule)
• format: neat
• SMILES string: CC(CO)Cc1ccc(cc1)C(C)C(O)=O
• InChI: 1S/C13H18O3/c1-9(8-14)7-11-3-5-12(6-4-11)10(2)13(15)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
• InChI key: HFAIHLSDLUYLQA-UHFFFAOYSA-N

Description

General description

Ibuprofen (Ibu) is an anti-inflammatory drug, and it is metabolized in the human liver to a number of metabolites including 1-hydroxyibuprofen (1-OH-Ibu), 2-hydroxyibuprofen (2-OH-Ibu), and 3-hydroxyibuprofen (3-OH-Ibu).

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable