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Regorafenib M4 metabolite-[13C6]

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General Information
Catalog: BLP-004112
Molecular Formula: C14[13C]6H13ClF4N4O3
Molecular Weight: 474.75

Chemical Structure

Description	Regorafenib M4 metabolite-[13C6] is a labelled metabolite of Regorafenib. Regorafenib is useful for the treatment of inflammation and as an anti-proliferative agent.
Synonyms	4-[4-({[4-chloro-3-(trifluoromethyl)(1,2,3,4,5,6-13C6)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridine-2-carboxamide; [13C6]-Regorafenib M-4 metabolite
IUPAC Name	4-[4-[[4-chloro-3-(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
Related CAS	1343498-72-5 (unlabelled)
Canonical SMILES	C1=CC(=C(C=C1NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)N)F)C(F)(F)F)Cl
InChI	InChI=1S/C20H13ClF4N4O3/c21-14-3-1-10(7-13(14)20(23,24)25)28-19(31)29-16-4-2-11(8-15(16)22)32-12-5-6-27-17(9-12)18(26)30/h1-9H,(H2,26,30)(H2,28,29,31)/i1+1,3+1,7+1,10+1,13+1,14+1
InChI Key	UJAPQTJRMGFPQS-GZEXQWKYSA-N
Purity	>98%