CHEBI:96596 - (2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-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-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:96596 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H29N3O4S Net Charge 0 Average Mass 443.561 Monoisotopic Mass 443.18788 InChI InChI=1S/C23H29N3O4S/c1-17-14-26(18(2)16-27)31(28,29)23-11-9-19(8-10-20-7-5-6-12-24-20)13-21(23)30-22(17)15-25(3)4/h5-7,9,11-13,17-18,22,27H,14-16H2,1-4H3/t17-,18-,22+/m1/s1 InChIKey OBRGIGMGBKKHMR-HMFYCAOWSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=N3)O[C@H]1CN(C)C)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:96596) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-7975 LINCS View more database links