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CHEBI:128230 - 2-[(3S,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide

ChEBI IDCHEBI:128230
ChEBI Name2-[(3S,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
Stars
DownloadsMolfile
FormulaC25H30ClFN2O4
Net Charge0
Average Mass476.976
Monoisotopic Mass476.18781
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)cc2)O1)NCc1cccc(F)c1
InChIInChI=1S/C25H30ClFN2O4/c26-19-6-4-17(5-7-19)13-29-14-21(30)15-32-16-24-23(29)9-8-22(33-24)11-25(31)28-12-18-2-1-3-20(27)10-18/h1-7,10,21-24,30H,8-9,11-16H2,(H,28,31)/t21-,22-,23-,24+/m0/s1
InChIKeyKQYUNFJNSHJWKC-NEWJYFPISA-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,6aS,8S,10aS)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:128230) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
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