CHEBI:86969 - loperamide(1+)

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ChEBI Name loperamide(1+)
ChEBI ID CHEBI:86969
Definition An organic cation obtained by protonation of the tertiary amino function of loperamide.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C29H34ClN2O2
Net Charge +1
Average Mass 478.04500
Monoisotopic Mass 477.23033
InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3/p+1
InChIKey RDOIQAHITMMDAJ-UHFFFAOYSA-O
SMILES CN(C)C(=O)C(CC[NH+]1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
ChEBI Ontology
Outgoing loperamide(1+) (CHEBI:86969) is a ammonium ion derivative (CHEBI:35274)
loperamide(1+) (CHEBI:86969) is a organic cation (CHEBI:25697)
loperamide(1+) (CHEBI:86969) is conjugate acid of loperamide (CHEBI:6532)
Incoming loperamide hydrochloride (CHEBI:6533) has part loperamide(1+) (CHEBI:86969)
loperamide (CHEBI:6532) is conjugate base of loperamide(1+) (CHEBI:86969)
IUPAC Name
4-(4-chlorophenyl)-1-[4-(dimethylamino)-4-oxo-3,3-diphenylbutyl]-4-hydroxypiperidin-1-ium
Synonym Source
loperamide cation ChEBI
Last Modified
20 July 2015