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CHEBI:61095 - lofentanyl

ChEBI IDCHEBI:61095
ChEBI Namelofentanyl
Stars
DefinitionThe 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.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC25H32N2O3
Net Charge0
Average Mass408.542
Monoisotopic Mass408.24129
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1C
InChIInChI=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
InChIKeyIMYHGORQCPYVBZ-UHFFFAOYSA-N
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)
lofentanyl (CHEBI:61095) has role opioid analgesic (CHEBI:35482)
lofentanyl (CHEBI:61095) has role μ-opioid receptor agonist (CHEBI:55322)
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 NumbersSources
CAS:60645-00-3ChemIDplus
Citations