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ChEBI
> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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