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Application Area
Environmental
Environmental

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

Clinical diagnostic
Clinical diagnostic

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

Organic Chemistry
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
Metabolic Research

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

Benoxaprofen-[13C,d3]

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General Information
Catalog: BLP-003411
CAS: 1329840-53-0
Molecular Formula: C15[13C]H9D3ClNO3
Molecular Weight: 305.74
Chemical Structure
Benoxaprofen-[13C,d3]
Description Benoxaprofen-[13C,d3] is a stable isotopic labelled compound of Benoxaprofen which is an anti-inflammatory ophthalmic agent.
Synonyms 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl](3-13C,3,3,3-D3)propanoic acid; 2-(4-Chlorophenyl)-α-(methyl-13C,d3)-5-benzoxazoleacetic Acid; (RS)-Benoxaprofen-13C,d3; (+/-)-Benoxaprofen-13C,d3; 2-[2-(4-Chlorophenyl)benzoxazol-5-yl]propanoic Acid-13C,d3
IUPAC Name 2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-3,3,3-trideuterio(3-13C)propanoic acid
Related CAS 51234-28-7 (unlabelled)
Isomeric SMILES [2H][13C]([2H])([2H])C(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
Canonical SMILES CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
InChI InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)/i1+1D3
InChI Key MITFXPHMIHQXPI-KQORAOOSSA-N
Melting Point 175-178°C
Purity > 98%
Solubility Soluble in Chloroform, DMSO
Appearance White Solid
Storage -20°C
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