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CHEBI:110336 - 2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

ChEBI IDCHEBI:110336
ChEBI Name2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
Stars
DownloadsMolfile
FormulaC19H28N2O4
Net Charge0
Average Mass348.443
Monoisotopic Mass348.20491
SMILESCCCNC(=O)C[C@@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1
InChIInChI=1S/C19H28N2O4/c1-4-7-20-18(23)10-13-9-15-14-8-12(21(2)3)5-6-16(14)25-19(15)17(11-22)24-13/h5-6,8,13,15,17,19,22H,4,7,9-11H2,1-3H3,(H,20,23)/t13-,15+,17-,19-/m0/s1
InChIKeyOCZIBHZIBGZVHV-PZFZOXMESA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:110336) is a furopyran (CHEBI:74927)
Manual XrefsDatabases
LSM-21785LINCS