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CHEBI:96267 - (2R)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-bromo-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:96267
ChEBI Name(2R)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-bromo-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC23H29BrN2O6S
Net Charge0
Average Mass541.464
Monoisotopic Mass540.09297
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2cc(Br)ccc2S1(=O)=O
InChIInChI=1S/C23H29BrN2O6S/c1-15-10-26(16(2)13-27)33(28,29)23-7-5-18(24)9-21(23)32-22(15)12-25(3)11-17-4-6-19-20(8-17)31-14-30-19/h4-9,15-16,22,27H,10-14H2,1-3H3/t15-,16+,22+/m0/s1
InChIKeyWSJCKGXDVCNJDF-WJONJSRFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-bromo-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:96267) is a benzodioxoles (CHEBI:38298)
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