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CHEBI:106196 - N-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

ChEBI IDCHEBI:106196
ChEBI NameN-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide
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DownloadsMolfile
FormulaC22H26BrFN2O5S
Net Charge0
Average Mass529.428
Monoisotopic Mass528.07298
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26BrFN2O5S/c1-14-11-26(15(2)13-27)32(29,30)21-9-6-17(23)10-19(21)31-20(14)12-25(3)22(28)16-4-7-18(24)8-5-16/h4-10,14-15,20,27H,11-13H2,1-3H3/t14-,15+,20-/m1/s1
InChIKeyTWAZXZQUDIIERC-QEEYODRMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:106196) is a carbonyl compound (CHEBI:36586)
N-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide (CHEBI:106196) is a organohalogen compound (CHEBI:17792)
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