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CHEBI:129586 - (2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:129586
ChEBI Name(2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC22H34N2O4S
Net Charge0
Average Mass422.591
Monoisotopic Mass422.22393
SMILESC[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C
InChIInChI=1S/C22H34N2O4S/c1-16-13-24(17(2)15-25)29(26,27)22-11-10-19(18-8-6-5-7-9-18)12-20(22)28-21(16)14-23(3)4/h8,10-12,16-17,21,25H,5-7,9,13-15H2,1-4H3/t16-,17-,21+/m1/s1
InChIKeyGXGOFMFIUNYHNH-LZJOCLMNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4R,5R)-8-(1-cyclohexenyl)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:129586) is a aromatic ether (CHEBI:35618)
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