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CHEBI:100463 - 2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-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:100463
ChEBI Name2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-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
FormulaC27H30Cl2N2O5
Net Charge0
Average Mass533.452
Monoisotopic Mass532.15318
SMILESO=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1)N1CCc2ccccc2C1
InChIInChI=1S/C27H30Cl2N2O5/c28-20-9-19(10-21(29)11-20)27(34)31-14-22(32)15-35-16-25-24(31)6-5-23(36-25)12-26(33)30-8-7-17-3-1-2-4-18(17)13-30/h1-4,9-11,22-25,32H,5-8,12-16H2/t22-,23-,24-,25+/m1/s1
InChIKeyRFSVTUPSJXWLCE-VPBXCIAMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-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:100463) is a isoquinolines (CHEBI:24922)
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LSM-11837LINCS