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CHEBI:127799 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-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:127799
ChEBI Name2-[(3R,6aS,8S,10aS)-3-hydroxy-1-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
FormulaC22H33N3O4
Net Charge0
Average Mass403.523
Monoisotopic Mass403.24711
SMILESCN1C[C@@H](O)COC[C@H]2O[C@H](CC(=O)N3CCN(c4ccccc4)CC3)CC[C@@H]21
InChIInChI=1S/C22H33N3O4/c1-23-14-18(26)15-28-16-21-20(23)8-7-19(29-21)13-22(27)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-6,18-21,26H,7-16H2,1H3/t18-,19+,20+,21-/m1/s1
InChIKeyKYYMAGJDIHMERU-IVAOSVALSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-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:127799) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-39355LINCS