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Metabolic Research

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Regorafenib-[d3]

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General Information
Catalog: BLP-012562
CAS: 1255386-16-3
Molecular Formula: C21H12D3ClF4N4O3
Molecular Weight: 485.83

Chemical Structure

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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