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CHEBI:61203 - anileridine

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 receptor agonist  An agent that selectively binds to and activates an opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Applications:
opioid receptor agonist  An agent that selectively binds to and activates an opioid receptor.
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
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
ethyl 1-(p-aminophenethyl)-4-phenylisonipecotateChemIDplus
N-β-(p-aminophenyl)ethylnormeperidineChemIDplus
N-(β-(p-aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidineChemIDplus
ethyl 1-(4-aminophenethyl)-4-phenylisonipecotateChemIDplus
ethyl 1-(2-(4-aminophenyl)ethyl)-4-phenyl-4-piperidinecarboxylateChemIDplus
1-[2-(4-aminophenyl)ethyl]-4-phenyl-4-piperidinecarboxlic acid ethyl esterNIST Chemistry WebBook
Manual XrefsDatabases
DB00913DrugBank
US2966490Patent
D02941KEGG DRUG
AnileridineWikipedia
HMDB0015049HMDB
220DrugCentral
Registry NumbersSources
Reaxys:331255Reaxys
CAS:144-14-9KEGG DRUG
CAS:144-14-9ChemIDplus
CAS:144-14-9NIST Chemistry WebBook
Citations