PHR1978
Ibuprofen Related Compound J
Pharmaceutical Secondary Standard; Certified Reference Material
Synonym(s):
(2RS)-2-(4-Isobutyrylphenyl)propionic acid, (2-(4-Isobutyrylphenyl)propanoic acid), α-Methyl-4-(2-methyl-1-oxopropyl)benzeneacetic acid, (2RS)-2-[4-(2-Methylpropanoyl)phenyl]propanoic acid, 1-Oxoibuprofen
About This Item
Recommended Products
grade
certified reference material
pharmaceutical secondary standard
Quality Level
agency
traceable to USP 1335596
CofA
current certificate can be downloaded
packaging
pkg of 50 mg
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
application(s)
pharmaceutical (small molecule)
format
neat
storage temp.
2-30°C
SMILES string
OC(C(C)C1=CC=C(C(C(C)C)=O)C=C1)=O
InChI
1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)
InChI key
RCINGEKPKJQCMO-UHFFFAOYSA-N
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General description
Application
- Prediction of Potential Toxicity and Side Effect Protein Targets: Research exploring the use of Ibuprofen Related Compound J as part of a ligand-protein inverse docking approach aimed at predicting potential toxicity and side effect protein targets. This innovative method enhances drug safety profiles by identifying off-target interactions early in the drug development process, serving as a critical tool for pharmaceutical research and ensuring the development of safer therapeutic agents (Chen and Ung, 2001).
Analysis Note
Other Notes
Footnote
Recommended products
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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