CHEBI:113913 - (2R)-2-[(4R,5R)-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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ChEBI Name (2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:113913 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H30N2O4S Net Charge 0 Average Mass 418.552 Monoisotopic Mass 418.19263 InChI InChI=1S/C22H30N2O4S/c1-16-13-24(17(2)15-25)29(26,27)22-11-10-19(18-8-6-5-7-9-18)12-20(22)28-21(16)14-23(3)4/h5-12,16-17,21,25H,13-15H2,1-4H3/t16-,17-,21+/m1/s1 InChIKey VRPITXDQEALDAT-LZJOCLMNSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)O[C@H]1CN(C)C)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-phenyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:113913) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-25345 LINCS View more database links