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CHEBI:233619 - 6-nitroparoxetine

ChEBI IDCHEBI:233619
ChEBI Name6-nitroparoxetine
Stars
DefinitionA C-nitro compound that is paroxetine substituted by a nitro group at position 6.
Last Modified4 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC19H19FN2O5
Net Charge0
Average Mass374.368
Monoisotopic Mass374.12780
SMILES[H][C@@]1(c2ccc(F)cc2)CCNC[C@H]1COc1cc2c(cc1[N+](=O)[O-])OCO2
InChIInChI=1S/C19H19FN2O5/c20-14-3-1-12(2-4-14)15-5-6-21-9-13(15)10-25-17-8-19-18(26-11-27-19)7-16(17)22(23)24/h1-4,7-8,13,15,21H,5-6,9-11H2/t13-,15-/m0/s1
InChIKeyXBVKITXKUGGVTI-ZFWWWQNUSA-N
ChEBI Ontology
Outgoing Relation(s)
6-nitroparoxetine (CHEBI:233619) has functional parent paroxetine (CHEBI:7936)
6-nitroparoxetine (CHEBI:233619) is a C-nitro compound (CHEBI:35716)
6-nitroparoxetine (CHEBI:233619) is a aromatic ether (CHEBI:35618)
6-nitroparoxetine (CHEBI:233619) is a benzodioxoles (CHEBI:38298)
6-nitroparoxetine (CHEBI:233619) is a monofluorobenzenes (CHEBI:83575)
6-nitroparoxetine (CHEBI:233619) is a piperidines (CHEBI:26151)
IUPAC Name 
(3S,4R)-4-(4-fluorophenyl)-3-{[(6-nitro-1,3-benzodioxol-5-yl)oxy]methyl}piperidine
Citations