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CHEBI:114099 - (2R)-2-[(4R,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:114099
ChEBI Name(2R)-2-[(4R,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC22H30N2O4S
Net Charge0
Average Mass418.559
Monoisotopic Mass418.19263
SMILESC[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccccc3)cc2O[C@@H]1CN(C)C
InChIInChI=1S/C22H30N2O4S/c1-16-13-24(17(2)15-25)29(26,27)22-11-10-19(18-8-6-5-7-9-18)12-20(22)28-21(16)14-23(3)4/h5-12,16-17,21,25H,13-15H2,1-4H3/t16-,17-,21-/m1/s1
InChIKeyVRPITXDQEALDAT-CBGDNZLLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4R,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114099) is a aromatic ether (CHEBI:35618)
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