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CHEBI:233887 - 5-hydroxy-6-methoxy duloxetine sulfate*

ChEBI IDCHEBI:233887
ChEBI Name5-hydroxy-6-methoxy duloxetine sulfate*
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FormulaC19H21NO6S2
Net Charge0
Average Mass423.512
Monoisotopic Mass423.08103
SMILESCNCC[C@H](Oc1cccc2c(OS(=O)(=O)O)c(OC)ccc12)c1cccs1
InChIInChI=1S/C19H21NO6S2/c1-20-11-10-16(18-7-4-12-27-18)25-15-6-3-5-14-13(15)8-9-17(24-2)19(14)26-28(21,22)23/h3-9,12,16,20H,10-11H2,1-2H3,(H,21,22,23)/t16-/m0/s1
InChIKeyXYZBSFYKOKLCKI-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-6-methoxy duloxetine sulfate* (CHEBI:233887) is a naphthalenes (CHEBI:25477)
IUPAC Name 
sodium;[2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl] sulate
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23200255ChemSpider