Substance
  • Substance Name: sorafenib tosylate
  • Formula: C28H24ClF3N4O6S
  • Molecular Weight: 637.0 g/mol
  • Identifiers:
    • casrn: 475207-59-1
    • pubchemId: 406563
    • iupacname: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
    • inchi: InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
    • inchikey: IVDHYUQIDRJSTI-UHFFFAOYSA-N
    • csmiles: CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
    • ismiles: CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
    • wikidataId: Q27122250
    • chemspiderId: 359744
    • dsstoxcmpId: DTXCID9027817
    • chemblId: CHEMBL1200485
    • ecnumber: 641-758-8
sorafenib tosylate
Systems and Datasets