CHEBI:100566 - N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

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ChEBI Name N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide ChEBI ID CHEBI:100566 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 C22H25N3O5 Net Charge 0 Average Mass 411.452 Monoisotopic Mass 411.17942 InChI InChI=1S/C22H25N3O5/c1-25(2)20(27)10-15-9-17-16-8-14(24-22(28)13-4-3-7-23-11-13)5-6-18(16)30-21(17)19(12-26)29-15/h3-8,11,15,17,19,21,26H,9-10,12H2,1-2H3,(H,24,28)/t15-,17-,19-,21+/m0/s1 InChIKey IUZUJTQXZTXMFN-WRGRXTPVSA-N SMILES CN(C)C(=O)C[C@@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)C4=CN=CC=C4 ChEBI Ontology Outgoing N-[(1S,3S,4aS,9aR)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide (CHEBI:100566) is a furopyran (CHEBI:74927) Manual Xref Database LSM-11940 LINCS View more database links