Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:61106 - carboxyfentanyl
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
carboxyfentanyl
ChEBI ID
CHEBI:61106
Definition
The dicarboxylic acid monoamide resulting from the formal condensation of aryl amino group of
N
-phenyl-1-(2-phenylethyl)piperidin-4-amine with succinic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C23H28N2O3
Net Charge
0
Average Mass
380.48000
Monoisotopic Mass
380.20999
InChI
InChI=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)
InChIKey
MEVFKTVEGJUHHI-UHFFFAOYSA-N
SMILES
OC(=O)CCC(=O)N(C1CCN(CC1)CCc1ccccc1)c1ccccc1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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 Xref
Database
US7109310
Patent
View more database links
Registry Number
Type
Source
11245147
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16621415
PubMed citation
Europe PMC
17927164
PubMed citation
Europe PMC
Last Modified
05 March 2014