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> Main
CHEBI:61095 - lofentanyl
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
Type
Source
16621415
PubMed citation
Europe PMC
Last Modified
07 March 2018