HIT ID: HIT218833638
Cas No:
分子式: C21H15ClF4N4O4
分子量: 502.83
常用名: Regorafenib-13C-d3 N-Oxide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-2-[(13C,2H3)methylcarbamoyl]pyridin-1-ium-1-olate
IUPAC: 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-2-[(13C,2H3)methylcarbamoyl]pyridin-1-ium-1-olate
SMILES: [2H][13C]([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)cc[n+]1[O-]
SMILES: [2H][13C]([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)cc[n+]1[O-]
InChI key: NUCXNEKIESREQY-KQORAOOSSA-N
