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CHEBI:230949 - Safotibant

ChEBI IDCHEBI:230949
ChEBI NameSafotibant
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34N4O5S
Net Charge0
Average Mass502.637
Monoisotopic Mass502.22499
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=NCCN3)cc2)c(C)c1
InChIInChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)
InChIKeyAMTQCENHQIDBHQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Safotibant (CHEBI:230949) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulonyl-methylamino]ethoxy]-N-methylacetamide
Manual XrefsDatabases
10127675ChemSpider
HMDB0257443HMDB