| Common Name |
Anileridine
| Description |
Anileridine is a synthetic opioid and strong analgesic medication. It is a narcotic pain reliever used to treat moderate to severe pain. Narcotic analgesics act in the central nervous system (CNS) to relieve pain. Some of their side effects are also caused by actions in the CNS.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
| Synonyms |
| Value |
Source |
1-[2-(4-Aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxlic acid ethyl esterChEBI
AnileridinaChEBI
AnileridinumChEBI
Ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylateChEBI
Ethyl 1-(4-aminophenethyl)-4-phenylisonipecotateChEBI
Ethyl 1-(P-aminophenethyl)-4-phenylisonipecotateChEBI
N-(beta-(P-Aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidineChEBI
N-beta-(P-Aminophenyl)ethylnormeperidineChEBI
1-[2-(4-Aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxlate ethyl esterGenerator
Ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylic acidGenerator
Ethyl 1-(4-aminophenethyl)-4-phenylisonipecotic acidGenerator
Ethyl 1-(P-aminophenethyl)-4-phenylisonipecotic acidGenerator
N-(b-(P-Aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidineGenerator
N-(β-(P-aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidineGenerator
N-b-(P-Aminophenyl)ethylnormeperidineGenerator
N-β-(P-aminophenyl)ethylnormeperidineGenerator
PhthalylslifathiazoleHMDB
SlifathalidineHMDB
Anileridine monohydrochlorideMeSH
Anileridine hydrochlorideMeSH
Anileridine phosphateMeSH
Anileridine phosphate (1:1)MeSH
Anileridine dihydrochlorideMeSH
| Chemical Formlia |
C22H28N2O2
| Average Molecliar Weight |
352.4699
| Monoisotopic Molecliar Weight |
352.21507815
| IUPAC Name |
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate
| Traditional Name |
anileridine
| CAS Registry Number |
144-14-9
| SMILES |
CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1
| InChI Identifier |
InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
| InChI Key |
LKYQLAWMNBFNJT-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organoheterocyclic compounds
| Sub Class |
Piperidines
| Direct Parent |
Phenylpiperidines
| Alternative Parents |
Piperidinecarboxylic acids
Phenethylamines
Aniline and substituted anilines
Aralkylamines
Primary aromatic amines
Trialkylamines
Carboxylic acid esters
Amino acids and derivatives
Monocarboxylic acids and derivatives
Azacyclic compounds
Organopnictogen compounds
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Phenylpiperidine
Phenethylamine
Piperidinecarboxylic acid
Aniline or substituted anilines
Aralkylamine
Monocyclic benzene moiety
Primary aromatic amine
Benzenoid
Amino acid or derivatives
Carboxylic acid ester
Tertiary amine
Tertiary aliphatic amine
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Azacycle
Primary amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Amine
Carbonyl group
Hydrocarbon derivative
Organic nitrogen compound
Aromatic heteromonocyclic compound
| Molecliar Framework |
Aromatic heteromonocyclic compounds
| External Descriptors |
ethyl ester (CHEBI:61203 )
substituted aniline (CHEBI:61203 )
piperidinecarboxylate ester (CHEBI:61203 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Drug
| Biofunction |
Analgesics
Narcotics
Opiate Agonists
| Application |
Pharmaceutical
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Solid
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point83 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.24e-02 g/LNot Available
LogP3.7Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.012 mg/mLALOGPS
logP4.05ALOGPS
logP3.64ChemAxon
logS-4.5ALOGPS
pKa (Strongest Basic)8.88ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.56 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity106.55 m3·mol-1ChemAxon
Polarizability40.98 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0udi-0009000000-51d5aa3665f062055774View in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-0uk9-0509000000-da80cc1781c8dd21ddf0View in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-00di-0900000000-4c29e57b70578de9cb54View in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-00di-0900000000-f69077c57a03477473bdView in MoNA
| LC-MS/MS |
LC-MS/MS Spectrum – LC-ESI-QTOF , positivesplash10-00di-2900000000-1a76eeca83116d6bdacdView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| MS |
Mass Spectrum (Electron Ionization)splash10-0002-1290000000-ba6e571da24e144b4e13View in MoNA
| Biological Properties |
| Cellliar Locations |
Membrane
| Biofluid Locations |
Blood
Urine
| Tissue Location |
Not Available
| Pathways |
| Name |
SMPDB Link |
KEGG Link |
Anileridine Action PathwaySMP00674Not Available
| Normal Concentrations |
| Biofluid |
Status |
Age |
Condition |
Reference |
Details |
BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB00913
21059682
details
UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB00913
21059682
details
|
| Abnormal Concentrations |
|
Not Available
| Predicted Concentrations |
|
| Biofluid |
Original age |
Original condition |
Blood0-3 uMAdlit (>18 years old)BothNormalPredicted based on drug qualities
Blood0-1 umol/mmol creatinineAdlit (>18 years old)BothNormalPredicted based on drug qualities
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
DB00913
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
Not Available
| KNApSAcK ID |
Not Available
| Chemspider ID |
8600
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Anileridine
| NuGOwiki Link |
HMDB15049
| Metagene Link |
HMDB15049
| METLIN ID |
Not Available
| PubChem Compound |
8944
| PDB ID |
Not Available
| ChEBI ID |
61203
Product: AZD1284
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
Enzymes
- General function:
- Involved in G-protein coupled receptor protein signaling pathway
- Specific function:
- Inhibits neurotransmitter release by reducing calcium ion currents and increasing potassium ion conductance. Receptor for beta-endorphin
- Gene Name:
- OPRM1
- Uniprot ID:
- P35372
- Molecular weight:
- 44778.9
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
- Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
PMID: 6615418
