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CHEBI:107182 - 8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide

ChEBI IDCHEBI:107182
ChEBI Name8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide
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FormulaC21H21BrN2O2S
Net Charge0
Average Mass445.382
Monoisotopic Mass444.05071
SMILESCCC1=Nc2cc(C(=O)NCC3CCCO3)ccc2Sc2ccc(Br)cc21
InChIInChI=1S/C21H21BrN2O2S/c1-2-17-16-11-14(22)6-8-19(16)27-20-7-5-13(10-18(20)24-17)21(25)23-12-15-4-3-9-26-15/h5-8,10-11,15H,2-4,9,12H2,1H3,(H,23,25)
InChIKeyFWDGNGNJNVPPMH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide (CHEBI:107182) is a dibenzothiazepine (CHEBI:39268)
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LSM-18536LINCS