CHEBI:50928 - sorafenib tosylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sorafenib tosylate
ChEBI ID CHEBI:50928
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formulae C21H16ClF3N4O3.C7H8O3S
C28H24ClF3N4O6S
Net Charge 0
Average Mass 637.029
Monoisotopic Mass 636.10572
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
SMILES C1(=C(C=C(C=C1)NC(NC2=CC=C(C=C2)OC3=CC=NC(=C3)C(NC)=O)=O)C(F)(F)F)Cl.C=1(C=CC(=CC1)S(O)(=O)=O)C
ChEBI Ontology
Outgoing sorafenib tosylate (CHEBI:50928) has part sorafenib (CHEBI:50924)
sorafenib tosylate (CHEBI:50928) is a organosulfonate salt (CHEBI:64382)
IUPAC Name
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide 4-methylbenzenesulfonate
Synonyms Sources
-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N2-methylpyridine-2-carboxamide mono (4-methylbenzenesulfonate) ChemIDplus
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)urea mono(4-methylbenzenesulfonate) ChemIDplus
Brand Name Source
Nexavar DrugBank
Manual Xref Database
DB00398 DrugBank
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Registry Number Type Source
475207-59-1 CAS Registry Number ChemIDplus
Last Modified
10 December 2016