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CHEBI:81707 - Mafoprazine mesylate

Default Structure
ChEBI IDCHEBI:81707
ChEBI NameMafoprazine mesylate
Stars
DownloadsMolfile
FormulaC22H28FN3O3.CH4O3S
Net Charge0
Average Mass497.589
Monoisotopic Mass497.19958
SMILESCOc1cc(NC(C)=O)ccc1OCCCN1CCN(c2ccccc2F)CC1.CS(=O)(=O)O
InChIInChI=1S/C22H28FN3O3.CH4O3S/c1-17(27)24-18-8-9-21(22(16-18)28-2)29-15-5-10-25-11-13-26(14-12-25)20-7-4-3-6-19(20)23;1-5(2,3)4/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27);1H3,(H,2,3,4)
InChIKeySEUMNMFHYBUUEX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mafoprazine mesylate (CHEBI:81707) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
C18361KEGG COMPOUND