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CHEBI:101516 - 2-[(3S,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-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:101516
ChEBI Name2-[(3S,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-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
Stars
DownloadsMolfile
FormulaC23H34FN3O4
Net Charge0
Average Mass435.540
Monoisotopic Mass435.25333
SMILESCN1CCN(C(=O)C[C@@H]2CC[C@@H]3[C@H](COC[C@@H](O)CN3Cc3cccc(F)c3)O2)CC1
InChIInChI=1S/C23H34FN3O4/c1-25-7-9-26(10-8-25)23(29)12-20-5-6-21-22(31-20)16-30-15-19(28)14-27(21)13-17-3-2-4-18(24)11-17/h2-4,11,19-22,28H,5-10,12-16H2,1H3/t19-,20-,21+,22-/m0/s1
InChIKeyUZQWVSGPDQQYNK-KJJMTIBFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[(3S,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-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:101516) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-12879LINCS