EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61203 - anileridine

Default Structure
ChEBI IDCHEBI:61203
ChEBI Nameanileridine
Stars
DefinitionA piperidinecarboxylate ester that is the ethyl ester of isonipecotic acid in which the hydrogen α- to the carboxyl group is substituted by a phenyl group, and the hydrogen attached to the nitrogen is substituted by a 2-(4-aminophenyl)ethyl group.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H28N2O2
Net Charge0
Average Mass352.478
Monoisotopic Mass352.21508
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1
InChIInChI=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
InChIKeyLKYQLAWMNBFNJT-UHFFFAOYSA-N
Wikipedia
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.
opioid receptor agonist  An agent that selectively binds to and activates an opioid receptor.
Applications:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
opioid receptor agonist  An agent that selectively binds to and activates an opioid receptor.
ChEBI Ontology
Outgoing Relation(s)
anileridine (CHEBI:61203) has functional parent N-[2-(4-aminophenyl)ethyl]-4-phenylisonipecotic acid (CHEBI:61209)
anileridine (CHEBI:61203) has role opioid analgesic (CHEBI:35482)
anileridine (CHEBI:61203) has role opioid receptor agonist (CHEBI:60606)
anileridine (CHEBI:61203) is a ethyl ester (CHEBI:23990)
anileridine (CHEBI:61203) is a piperidinecarboxylate ester (CHEBI:48630)
anileridine (CHEBI:61203) is a substituted aniline (CHEBI:48975)
anileridine (CHEBI:61203) is conjugate base of anileridine(2+) (CHEBI:61207)
Incoming Relation(s)
anileridine(2+) (CHEBI:61207) is conjugate acid of anileridine (CHEBI:61203)
IUPAC Name 
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate
INNs  Source
anileridinaChemIDplus
anileridineChemIDplus
anileridinumChemIDplus
Synonyms  Source
1-[2-(4-aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxlic acid ethyl esterNIST Chemistry WebBook
N-(β-(p-aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidineChemIDplus
N-β-(p-aminophenyl)ethylnormeperidineChemIDplus
ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylateChemIDplus
ethyl 1-(4-aminophenethyl)-4-phenylisonipecotateChemIDplus
ethyl 1-(p-aminophenethyl)-4-phenylisonipecotateChemIDplus
Manual XrefsDatabases
220DrugCentral
AnileridineWikipedia
D02941KEGG DRUG
DB00913DrugBank
HMDB0015049HMDB
US2966490Patent
Registry NumbersSources
Reaxys:331255Reaxys
CAS:144-14-9ChemIDplus
CAS:144-14-9NIST Chemistry WebBook
CAS:144-14-9KEGG DRUG
Citations