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CHEBI:106091 - (2R)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:106091
ChEBI Name(2R)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC15H23BrN2O4S
Net Charge0
Average Mass407.330
Monoisotopic Mass406.05619
SMILESCNC[C@@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C15H23BrN2O4S/c1-10-8-18(11(2)9-19)23(20,21)15-5-4-12(16)6-13(15)22-14(10)7-17-3/h4-6,10-11,14,17,19H,7-9H2,1-3H3/t10-,11-,14+/m1/s1
InChIKeyJDNCUSTXITVPAM-GYSYKLTISA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106091) is a aromatic ether (CHEBI:35618)
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