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ChEBI
> Main
CHEBI:61192 - buclizine(2+)
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ChEBI Ontology
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ChEBI Name
buclizine(2+)
ChEBI ID
CHEBI:61192
Definition
An ammonium ion that results from the protonation of both of the nitrogens of buclizine.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C28H35ClN2
Net Charge
+2
Average Mass
435.04400
Monoisotopic Mass
434.24778
InChI
InChI=1S/C28H33ClN2/c1-
28(2,3)
25-
13-
9-
22(10-
14-
25)
21-
30-
17-
19-
31(20-
18-
30)
27(23-
7-
5-
4-
6-
8-
23)
24-
11-
15-
26(29)
16-
12-
24/h4-
16,27H,17-
21H2,1-
3H3/p+2
InChIKey
MOYGZHXDRJNJEP-UHFFFAOYSA-P
SMILES
CC(C)(C)c1ccc(C[NH+]2CC[NH+](CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
ChEBI Ontology
Outgoing
buclizine(2+) (
CHEBI:61192
)
is a
ammonium ion derivative (
CHEBI:35274
)
buclizine(2+) (
CHEBI:61192
)
is conjugate acid of
buclizine (
CHEBI:3205
)
Incoming
buclizine dihydrochloride (
CHEBI:61193
)
has part
buclizine(2+) (
CHEBI:61192
)
buclizine (
CHEBI:3205
)
is conjugate base of
buclizine(2+) (
CHEBI:61192
)
IUPAC Name
1-(4-
tert
-butylbenzyl)-4-[(4-chlorophenyl)(phenyl)methyl]piperazinediium
Last Modified
03 February 2011