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CHEBI:98839 - 2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone

ChEBI IDCHEBI:98839
ChEBI Name2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone
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DownloadsMolfile
FormulaC23H32FN3O5
Net Charge0
Average Mass449.523
Monoisotopic Mass449.23260
SMILESCN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@H](O)CN3C(=O)c3ccccc3F)O2)CC1
InChIInChI=1S/C23H32FN3O5/c1-25-8-10-26(11-9-25)22(29)12-17-6-7-20-21(32-17)15-31-14-16(28)13-27(20)23(30)18-4-2-3-5-19(18)24/h2-5,16-17,20-21,28H,6-15H2,1H3/t16-,17+,20-,21+/m1/s1
InChIKeyJLPSQBARJGYMKN-OVQGTLEDSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone (CHEBI:98839) is a carbonyl compound (CHEBI:36586)
2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-methyl-1-piperazinyl)ethanone (CHEBI:98839) is a organohalogen compound (CHEBI:17792)
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