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CHEBI:61208 - anileridine dihydrochloride

ChEBI IDCHEBI:61208
ChEBI Nameanileridine dihydrochloride
Stars
DefinitionA hydrochloride salt prepared from anileridine and 2 equivalents of hydrogen chloride.
Last Modified4 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H28N2O2.2HCl
Net Charge0
Average Mass425.400
Monoisotopic Mass424.16843
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C22H28N2O2.2ClH/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;2*1H
InChIKeyZYTHLJLPPSSDIP-UHFFFAOYSA-N
Roles Classification
Biological Role:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application:
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 dihydrochloride (CHEBI:61208) has part anileridine(2+) (CHEBI:61207)
anileridine dihydrochloride (CHEBI:61208) has role opioid analgesic (CHEBI:35482)
anileridine dihydrochloride (CHEBI:61208) is a hydrochloride (CHEBI:36807)
IUPAC Name 
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate dihydrochloride
Synonyms  Source
1-[2-(4-ammoniophenyl)ethyl]-4-(ethoxycarbonyl)-4-phenylpiperidinium dichlorideIUPAC
N-(β-(p-aminophenyl)ethyl)-4-phenyl-4-carbethoxypiperidine dihydrochlorideChemIDplus
ethyl 1-(4-aminophenethyl)-4-phenylisonipecotate dihydrochlorideChemIDplus
anileridine 2HClChEBI
anileridine hydrochlorideChemIDplus
ethyl 1-(p-aminophenethyl)-4-phenylisonipecotate dihydrochlorideChemIDplus
Brand Name  Source
LeritineChemIDplus
Manual XrefsDatabases
D02089KEGG DRUG
DB00913DrugBank
Registry NumbersSources
Reaxys:3797267Reaxys
CAS:129-74-8KEGG DRUG
CAS:129-74-8ChemIDplus