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CHEBI:97829 - 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide

ChEBI IDCHEBI:97829
ChEBI Name2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
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DownloadsMolfile
FormulaC22H27N3O4
Net Charge0
Average Mass397.475
Monoisotopic Mass397.20016
SMILESCN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3ccncc3)O[C@H](CO)[C@@H]1O2
InChIInChI=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+/m0/s1
InChIKeyISIKKEOWKJPDMG-FDGCKHTNSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide (CHEBI:97829) is a furopyran (CHEBI:74927)
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LSM-9208LINCS