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CHEBI:129681 - 2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

ChEBI IDCHEBI:129681
ChEBI Name2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Stars
DownloadsMolfile
FormulaC27H33FN2O4
Net Charge0
Average Mass468.569
Monoisotopic Mass468.24244
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1)N1CCc2ccccc2C1
InChIInChI=1S/C27H33FN2O4/c28-24-8-4-3-7-21(24)15-30-16-22(31)17-33-18-26-25(30)10-9-23(34-26)13-27(32)29-12-11-19-5-1-2-6-20(19)14-29/h1-8,22-23,25-26,31H,9-18H2/t22-,23+,25+,26-/m1/s1
InChIKeyOUXLKRYPKBLIJD-MFYWSIJSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CHEBI:129681) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-41232LINCS