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CHEBI:125350 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-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:125350
ChEBI Name2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-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
FormulaC28H33F3N2O4
Net Charge0
Average Mass518.576
Monoisotopic Mass518.23924
SMILESO=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1)N1CCc2ccccc2C1
InChIInChI=1S/C28H33F3N2O4/c29-28(30,31)22-7-5-19(6-8-22)14-33-16-23(34)17-36-18-26-25(33)10-9-24(37-26)13-27(35)32-12-11-20-3-1-2-4-21(20)15-32/h1-8,23-26,34H,9-18H2/t23-,24+,25-,26+/m1/s1
InChIKeyGGMMDGYUEUFUDI-ZJSPYRCASA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-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:125350) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-36822LINCS