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CHEBI:233692 - para-AmFenHap

ChEBI IDCHEBI:233692
ChEBI Namepara-AmFenHap
Stars
ASCII Namepara-AmFenHap
DefinitionA monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-{4-[2-(4-anilinopiperidin-1-yl)ethyl]phenyl}-3-sulfanylpropanamide with propanoic acid. It is synthetic analogue of fentanyl that is used as a hapten in the development of a fentanyl vaccine.
Last Modified4 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC25H33N3O2S
Net Charge0
Average Mass439.625
Monoisotopic Mass439.22935
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(NC(=O)CCS)cc2)CC1
InChIInChI=1S/C25H33N3O2S/c1-2-25(30)28(22-6-4-3-5-7-22)23-13-17-27(18-14-23)16-12-20-8-10-21(11-9-20)26-24(29)15-19-31/h3-11,23,31H,2,12-19H2,1H3,(H,26,29)
InChIKeyFYKZNPGCRLBNAZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
para-AmFenHap (CHEBI:233692) has role hapten (CHEBI:59174)
para-AmFenHap (CHEBI:233692) is a anilide (CHEBI:13248)
para-AmFenHap (CHEBI:233692) is a monocarboxylic acid amide (CHEBI:29347)
para-AmFenHap (CHEBI:233692) is a piperidines (CHEBI:26151)
para-AmFenHap (CHEBI:233692) is a secondary carboxamide (CHEBI:140325)
para-AmFenHap (CHEBI:233692) is a tertiary amino compound (CHEBI:50996)
para-AmFenHap (CHEBI:233692) is a thiol (CHEBI:29256)
IUPAC Name 
N-phenyl-N-(1-{2-[4-(3-sulfanylpropanamido)phenyl]ethyl}piperidin-4-yl)propanamide
Synonyms  Source
N-(1-{2-[4-(3-mercaptopropanamido)phenyl]ethyl}piperidin-4-yl)-N-phenylpropanamideIUPAC
p-AmFenHapChEBI
Citations