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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.

Regorafenib-[d3]

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General Information
Catalog: BLP-012562
CAS: 1255386-16-3
Molecular Formula: C21H12D3ClF4N4O3
Molecular Weight: 485.83
Chemical Structure
Regorafenib-[d3]
Description Regorafenib-[d3] is the labelled analogue of Regorafenib. Regorafenib is an oral kinase inhibitor with an anti-angiogenic activity.
Synonyms Regorafenib D3; 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-(methyl-d3)-2-pyridinecarboxamide
IUPAC Name 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
Related CAS 755037-03-7 (unlabelled)
Canonical SMILES CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F
InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)/i1D3
InChI Key FNHKPVJBJVTLMP-FIBGUPNXSA-N
Boiling Point 513.4±50.0 °C at 760 mmHg
Melting Point 197-200°C
Purity 98% HPLC
Density 1.5±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Pale Red to Light Red Solid
Storage Store at -20°C, under inert atmosphere
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