CHEBI:98048 - 2-[(1S,3R,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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ChEBI Name 2-[(1S,3R,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 ID CHEBI:98048 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H30N2O4 Net Charge 0 Average Mass 422.518 Monoisotopic Mass 422.22056 InChI InChI=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+/m1/s1 InChIKey QQFBCVYCCQBHCE-ASASOQJESA-N SMILES CN(C)C1=CC2=C(C=C1)O[C@H]3[C@@H]2C[C@@H](O[C@H]3CO)CC(=O)N4CCC5=CC=CC=C5C4 ChEBI Ontology Outgoing 2-[(1S,3R,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:98048) is a isoquinolines (CHEBI:24922) Manual Xref Database LSM-9427 LINCS View more database links