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CHEBI:184036 - Dasatinib n-oxide
| Formula | C22H26ClN7O3S |
| Net Charge | 0 |
| Average Mass | 504.016 |
| Monoisotopic Mass | 503.15064 |
| SMILES | Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CC[N+]([O-])(CCO)CC2)n1 |
| InChI | InChI=1S/C22H26ClN7O3S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(34-17)27-18-12-19(26-15(2)25-18)29-6-8-30(33,9-7-29)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) |
| InChIKey | UEFNEEZCTQCRAW-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) | |
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Dasatinib n-oxide (CHEBI:184036) is a aromatic amide (CHEBI:62733) |
| IUPAC Name |
|---|
| N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-4-oxidopiperazin-4-ium-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide |
| Manual Xrefs | Databases |
|---|---|
| 10029007 | ChemSpider |