CHEBI:125848 - (2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-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]-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol ChEBI ID CHEBI:125848 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H32N2O5S Net Charge 0 Average Mass 472.599 Monoisotopic Mass 472.20319 InChI InChI=1S/C25H32N2O5S/c1-18-15-27(19(2)17-28)33(29,30)25-12-11-21(14-23(25)32-24(18)16-26(3)4)10-9-20-7-6-8-22(13-20)31-5/h6-8,11-14,18-19,24,28H,15-17H2,1-5H3/t18-,19-,24+/m1/s1 InChIKey NGSVTCXVDNQXPV-IECBHUPTSA-N SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC(=CC=C3)OC)O[C@H]1CN(C)C)[C@H](C)CO ChEBI Ontology Outgoing (2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-8-[2-(3-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:125848) is a methoxybenzenes (CHEBI:51683) Manual Xref Database LSM-37415 LINCS View more database links