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CHEBI:61106 - carboxyfentanyl

ChEBI IDCHEBI:61106
ChEBI Namecarboxyfentanyl
Stars
DefinitionThe dicarboxylic acid monoamide resulting from the formal condensation of aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with succinic acid.
Last Modified5 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC23H28N2O3
Net Charge0
Average Mass380.488
Monoisotopic Mass380.20999
SMILESO=C(O)CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)
InChIKeyMEVFKTVEGJUHHI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
carboxyfentanyl (CHEBI:61106) has functional parent succinic acid (CHEBI:15741)
carboxyfentanyl (CHEBI:61106) is a dicarboxylic acid monoamide (CHEBI:35735)
carboxyfentanyl (CHEBI:61106) is a monocarboxylic acid (CHEBI:25384)
carboxyfentanyl (CHEBI:61106) is a piperidines (CHEBI:26151)
IUPAC Name 
4-oxo-4-{phenyl[1-(2-phenylethyl)piperidin-4-yl]amino}butanoic acid
Manual XrefsDatabases
US7109310Patent
Registry NumbersSources
Reaxys:11245147Reaxys
Citations