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CHEBI:126310 - 2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)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:126310
ChEBI Name2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)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
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DownloadsMolfile
FormulaC27H32F2N2O4
Net Charge0
Average Mass486.559
Monoisotopic Mass486.23301
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N1CCc2ccccc2C1
InChIInChI=1S/C27H32F2N2O4/c28-21-5-7-24(29)20(11-21)14-31-15-22(32)16-34-17-26-25(31)8-6-23(35-26)12-27(33)30-10-9-18-3-1-2-4-19(18)13-30/h1-5,7,11,22-23,25-26,32H,6,8-10,12-17H2/t22-,23+,25+,26-/m1/s1
InChIKeyOFDCMTXAJHTHOC-MFYWSIJSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-1-[(2,5-difluorophenyl)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:126310) is a isoquinolines (CHEBI:24922)
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LSM-37876LINCS