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CHEBI:50928 - sorafenib tosylate

ChEBI IDCHEBI:50928
ChEBI Namesorafenib tosylate
Stars
Last Modified10 December 2016
SubmitterInma Spiteri
DownloadsMolfile
FormulaC21H16ClF3N4O3.C7H8O3S
Net Charge0
Average Mass637.036
Monoisotopic Mass636.10572
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1
InChIInChI=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)
InChIKeyIVDHYUQIDRJSTI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-((2-(methylcarbamoyl)pyridin-4-yl)oxy)phenyl)urea mono(4-methylbenzenesulfonate)ChemIDplus
-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)-N2-methylpyridine-2-carboxamide mono (4-methylbenzenesulfonate)ChemIDplus
Brand Name  Source
NexavarDrugBank
Manual XrefsDatabases
DB00398DrugBank
Registry NumbersSources
CAS:475207-59-1ChemIDplus