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Ibuprofen-[U-Ring-13C6]

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Application Area

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Ibuprofen-[U-Ring-13C6]

Name: Ibuprofen-[U-Ring-13C6]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-001561
CAS: 1216459-54-9
Molecular Formula: C7[13C]6H18O2
Molecular Weight: 212.28

Chemical Structure

Description	Ibuprofen-[U-Ring-13C6] is an isotope form of Ibuprofen. Ibuprofen is an inhibitor of COX-1 and COX-2 with IC50 of 13 μM and 370 μM, respectively.
Synonyms	Ibuprofen-13C6; CTK8G0259
IUPAC Name	2-[4-(2-methylpropyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]propanoic acid
Related CAS	15687-27-1 (unlabelled)
Canonical SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChI	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i4+1,5+1,6+1,7+1,11+1,12+1
InChI Key	HEFNNWSXXWATRW-HNHUTNRMSA-N
Melting Point	69-72°C
Purity	98%; 99% atom 13C
Appearance	White solid
Storage	-20°C