CHEBI:61095 - lofentanyl

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lofentanyl
ChEBI ID CHEBI:61095
Definition The carboxamide resulting from the formal condensation of the aryl amino group of methyl 4-anilino-3-methyl-1-(2-phenylethyl)piperidine-4-carboxylate with propanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H32N2O3
Net Charge 0
Average Mass 408.53320
Monoisotopic Mass 408.24129
InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3
InChIKey IMYHGORQCPYVBZ-UHFFFAOYSA-N
SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1C)C(=O)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): mu-opioid receptor agonist
A compound that exhibits agonist activity at the mu-opioid receptor.
opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application(s): mu-opioid receptor agonist
A compound that exhibits agonist activity at the mu-opioid receptor.
opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lofentanyl (CHEBI:61095) has role μ-opioid receptor agonist (CHEBI:55322)
lofentanyl (CHEBI:61095) has role opioid analgesic (CHEBI:35482)
lofentanyl (CHEBI:61095) is a methyl ester (CHEBI:25248)
lofentanyl (CHEBI:61095) is a piperidines (CHEBI:26151)
lofentanyl (CHEBI:61095) is a tertiary amino compound (CHEBI:50996)
lofentanyl (CHEBI:61095) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name
methyl 3-methyl-1-(2-phenylethyl)-4-[phenyl(propionyl)amino]piperidine-4-carboxylate
Registry Number Type Source
60645-00-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16621415 PubMed citation Europe PMC
Last Modified
07 March 2018