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CHEBI:98568 - 2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

ChEBI IDCHEBI:98568
ChEBI Name2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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DownloadsMolfile
FormulaC25H30N2O4
Net Charge0
Average Mass422.525
Monoisotopic Mass422.22056
SMILESCN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)N3CCc4ccccc4C3)O[C@@H](CO)[C@H]1O2
InChIInChI=1S/C25H30N2O4/c1-26(2)18-7-8-22-20(11-18)21-12-19(30-23(15-28)25(21)31-22)13-24(29)27-10-9-16-5-3-4-6-17(16)14-27/h3-8,11,19,21,23,25,28H,9-10,12-15H2,1-2H3/t19-,21+,23-,25-/m0/s1
InChIKeyQQFBCVYCCQBHCE-PYTYSOFPSA-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][1]benzofuran-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:98568) is a isoquinolines (CHEBI:24922)
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