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CHEBI:125346 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone

ChEBI IDCHEBI:125346
ChEBI Name2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone
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DownloadsMolfile
FormulaC34H41N3O5
Net Charge0
Average Mass571.718
Monoisotopic Mass571.30462
SMILESO=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Oc3ccccc3)cc2)O1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C34H41N3O5/c38-28-23-37(22-26-11-13-30(14-12-26)41-29-9-5-2-6-10-29)32-16-15-31(42-33(32)25-40-24-28)21-34(39)36-19-17-35(18-20-36)27-7-3-1-4-8-27/h1-14,28,31-33,38H,15-25H2/t28-,31-,32+,33-/m1/s1
InChIKeyWFSMXLKWCXLDNK-YHIGAFCSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone (CHEBI:125346) is a aromatic ether (CHEBI:35618)
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