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CHEBI:104161 - 3-[(2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]-1-azabicyclo[2.2.2]octane

ChEBI IDCHEBI:104161
ChEBI Name3-[(2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]-1-azabicyclo[2.2.2]octane
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DownloadsMolfile
FormulaC21H22BrNOS
Net Charge0
Average Mass416.384
Monoisotopic Mass415.06055
SMILESBrc1ccc2c(c1)C(OC1CN3CCC1CC3)c1ccccc1CS2
InChIInChI=1S/C21H22BrNOS/c22-16-5-6-20-18(11-16)21(17-4-2-1-3-15(17)13-25-20)24-19-12-23-9-7-14(19)8-10-23/h1-6,11,14,19,21H,7-10,12-13H2
InChIKeyLVUDIWHCHFHYEK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]-1-azabicyclo[2.2.2]octane (CHEBI:104161) is a dibenzothiepine (CHEBI:38924)
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LSM-15525LINCS