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

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ChEBI Name 3-[(2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)oxy]-1-azabicyclo[2.2.2]octane ChEBI ID CHEBI:104161 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H22BrNOS Net Charge 0 Average Mass 416.376 Monoisotopic Mass 415.06055 InChI InChI=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 InChIKey LVUDIWHCHFHYEK-UHFFFAOYSA-N SMILES C1CN2CCC1C(C2)OC3C4=CC=CC=C4CSC5=C3C=C(C=C5)Br ChEBI Ontology Outgoing 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) Manual Xref Database LSM-15525 LINCS View more database links