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Regorafenib N-oxide-[d3]

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General Information
Catalog: BLP-004113
CAS: 1333489-03-4
Molecular Formula: C21H12D3ClF4N4O4
Molecular Weight: 501.83

Chemical Structure

Description	Regorafenib N-oxide-[d3] is a labelled metabolite of Regorafenib. Regorafenib is a multi-kinase inhibitor which targets angiogenic, stromal and oncogenic receptor tyrosine kinase. It shows anti-angiogenic activity due to its dual targeted VEGFR2-TIE2 tyrosine kinase inhibition.
Synonyms	4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide 1-Oxide-d3
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-oxido-N-(trideuteriomethyl)pyridin-1-ium-2-carboxamide
Related CAS	835621-11-9 (unlabelled)
Canonical SMILES	CNC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F)[O-]
InChI	InChI=1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29,32)/i1D3
InChI Key	NUCXNEKIESREQY-FIBGUPNXSA-N
Purity	99%
Storage	Store at 2-8°C