Chem
J-GLOBAL ID：201107005693073715   Nikkaji number：J2.963.976K

Regorafenib

レゴラフェニブ
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H15ClF4N4O3
Molecular formula furigana： C21-H15-CL-F4-N4-O3
Molecular weight： 482.820
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)
InChI key： FNHKPVJBJVTLMP-UHFFFAOYSA-N
SMILES： CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Systematic name  (3)：
  • 4-[4-[3-[4-クロロ-3-(トリフルオロメチル)フェニル]ウレイド]-3-フルオロフェノキシ]-N-メチル-2-ピリジンカルボアミド
  • 4-[4-({[4-クロロ-3-(トリフルオロメチル)フェニル]カルバモイル}アミノ)-3-フルオロフェノキシ]-N-メチルピリジン-2-カルボキサミド
  • 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
Other name (4)：
  • 4-[4-[3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide
  • レゴラフェニブ
  • Regorafenib
  • スチバーガ
CAS registry number： 755037-03-7
Application (2)：
antitumor drug ,  enzyme inhibitor
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