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CHEBI:110216 - 2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:110216
ChEBI Name2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-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)NCc3ccccc3F)O[C@H](CO)[C@@H]1O2
InChIInChI=1S/C23H27FN2O4/c1-26(2)15-7-8-20-17(9-15)18-10-16(29-21(13-27)23(18)30-20)11-22(28)25-12-14-5-3-4-6-19(14)24/h3-9,16,18,21,23,27H,10-13H2,1-2H3,(H,25,28)/t16-,18-,21+,23+/m0/s1
InChIKeyXQYKWCFSNBOVNA-JOXJFCDYSA-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]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:110216) is a furopyran (CHEBI:74927)
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