CHEBI:102399 - 2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide ChEBI ID CHEBI:102399 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 C22H27N3O4 Net Charge 0 Average Mass 397.468 Monoisotopic Mass 397.20016 InChI InChI=1S/C22H27N3O4/c1-25(2)15-3-4-19-17(9-15)18-10-16(28-20(13-26)22(18)29-19)11-21(27)24-12-14-5-7-23-8-6-14/h3-9,16,18,20,22,26H,10-13H2,1-2H3,(H,24,27)/t16-,18-,20-,22+/m1/s1 InChIKey ISIKKEOWKJPDMG-ZLLBNUPZSA-N SMILES CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@@H]3CO)CC(=O)NCC4=CC=NC=C4 ChEBI Ontology Outgoing 2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:102399) is a furopyran (CHEBI:74927) Manual Xref Database LSM-13750 LINCS View more database links