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CHEBI:231308 - 4-chlorofentanyl

ChEBI IDCHEBI:231308
ChEBI Name4-chlorofentanyl
Stars
DefinitionA monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(4-chlorophenyl)-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. It is a synthetic analogue of fentanyl.
Last Modified17 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27ClN2O
Net Charge0
Average Mass370.924
Monoisotopic Mass370.18119
SMILESCCC(=O)N(c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27ClN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3
InChIKeyCUGMWAHBYRKBKL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
Applications:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
ChEBI Ontology
Outgoing Relation(s)
4-chlorofentanyl (CHEBI:231308) has role opioid analgesic (CHEBI:35482)
4-chlorofentanyl (CHEBI:231308) has role μ-opioid receptor agonist (CHEBI:55322)
4-chlorofentanyl (CHEBI:231308) is a monocarboxylic acid amide (CHEBI:29347)
4-chlorofentanyl (CHEBI:231308) is a monochlorobenzenes (CHEBI:83403)
4-chlorofentanyl (CHEBI:231308) is a piperidines (CHEBI:26151)
4-chlorofentanyl (CHEBI:231308) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(4-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Synonyms  Source
para-chlorofentanylChEBI
p-chlorofentanylChEBI
N-(4-chlorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-propanamideChEBI
N-(4-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamideChEBI
N-(4-chlorophenyl)-N-(1-phenethylpiperidin-4-yl)propionamideChEBI
Manual XrefsDatabases
459384ChemSpider
Registry NumbersSources
CAS:117994-22-6ChEBI