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Application Area
Metabolic Research
Metabolic Research

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

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.

Environmental
Environmental

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

Nitisinone-[13C6]

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General Information
Catalog: BLP-012485
CAS: 1246815-63-3
Molecular Formula: C8[13C]6H10F3NO5
Molecular Weight: 335.18
Chemical Structure
Nitisinone-[13C6]
Description Nitisinone-[13C6] is the labelled analogue of Nitisinone, which is an inhibitor of the enzyme 4-hydroxyphenylpyruvate dioxygenase.
Synonyms Nitisinone 13C6; 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione-13C6; Orfadin-13C6
IUPAC Name 2-[2-nitro-4-(trifluoromethyl)benzoyl](1,2,3,4,5,6-13C6)cyclohexane-1,3-dione
Related CAS 104206-65-7 (unlabelled)
Isomeric SMILES [13CH2]1[13CH2][13C](=O)[13CH]([13C](=O)[13CH2]1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Canonical SMILES C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2/i1+1,2+1,3+1,10+1,11+1,12+1
InChI Key OUBCNLGXQFSTLU-GRIYWAASSA-N
Melting Point >134°C (dec.)
Purity 95% by HPLC; 95% atom 13C
Density 1.5±0.1 g/cm3
Solubility Soluble in Chloroform, Ethyl Acetate
Appearance Light Beige to Tan Solid
Storage Store at -20°C
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