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CHEBI:98347 - 2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:98347
ChEBI Name2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC23H27FN2O4
Net Charge0
Average Mass414.477
Monoisotopic Mass414.19549
SMILESCN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCc3cccc(F)c3)O[C@@H](CO)[C@@H]1O2
InChIInChI=1S/C23H27FN2O4/c1-26(2)16-6-7-20-18(9-16)19-10-17(29-21(13-27)23(19)30-20)11-22(28)25-12-14-4-3-5-15(24)8-14/h3-9,17,19,21,23,27H,10-13H2,1-2H3,(H,25,28)/t17-,19-,21-,23+/m0/s1
InChIKeyWXYXTVXIMWIJFY-RAKJYXHLSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:98347) is a furopyran (CHEBI:74927)
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