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CHEBI:64043 - desmethyl loperamide

ChEBI IDCHEBI:64043
ChEBI Namedesmethyl loperamide
Stars
DefinitionA monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid.
Last Modified24 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC28H31ClN2O2
Net Charge0
Average Mass463.021
Monoisotopic Mass462.20741
SMILESCNC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
InChIKeyZMOPTLXEYOVARP-UHFFFAOYSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
desmethyl loperamide (CHEBI:64043) has role drug metabolite (CHEBI:49103)
desmethyl loperamide (CHEBI:64043) is a monocarboxylic acid amide (CHEBI:29347)
desmethyl loperamide (CHEBI:64043) is a monochlorobenzenes (CHEBI:83403)
desmethyl loperamide (CHEBI:64043) is a piperidines (CHEBI:26151)
desmethyl loperamide (CHEBI:64043) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide
Synonyms  Source
monodesmethyl loperamideChEBI
N-desmethyl loperamideChEBI
Manual XrefsDatabases
US2009274624Patent
Registry NumbersSources
Reaxys:1517638Reaxys
Citations