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Regorafenib monohydrate

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For Research Use Only | Not For Clinical Use
CATAPS1019206882
CAS1019206-88-2
Structure
SynonymsRegorafenib Monohydrate,2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, hydrate (1:1)
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;hydrate
Molecular Weight500.8307
Molecular FormulaC21H15ClF4N4O3.H2O
Canonical SMILESO.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
InChIInChI=1S/C21H15ClF4N4O3.H2O/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);1H2
Accurate Mass500.0874
ShippingRoom Temperature
Storage Conditions2-8°C Fridge/Coldroom
SubcategoryEuropean Pharmacopoeia (Ph. Eur.)
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