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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:183638 - ketanserin(1+)
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ChEBI Name
ketanserin(1+)
ChEBI ID
CHEBI:183638
Definition
A piperidinium ion obtained by protonation of the piperidine nitrogen of ketanserin; major microspecies at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C22H23FN3O3
Net Charge
+1
Average Mass
396.442
Monoisotopic Mass
396.17180
InChI
InChI=1S/C22H22FN3O3/c23-
17-
7-
5-
15(6-
8-
17)
20(27)
16-
9-
11-
25(12-
10-
16)
13-
14-
26-
21(28)
18-
3-
1-
2-
4-
19(18)
24-
22(26)
29/h1-
8,16H,9-
14H2,(H,24,29)
/p+1
InChIKey
FPCCSQOGAWCVBH-UHFFFAOYSA-O
SMILES
FC1=CC=C(C=C1)C(=O)C1CC[NH+](CCN2C(=O)NC3=CC=CC=C3C2=O)CC1
ChEBI Ontology
Outgoing
ketanserin(1+) (
CHEBI:183638
)
is a
piperidinium ion (
CHEBI:48633
)
ketanserin(1+) (
CHEBI:183638
)
is conjugate acid of
ketanserin (
CHEBI:6123
)
Incoming
ketanserin tartrate (
CHEBI:183637
)
has part
ketanserin(1+) (
CHEBI:183638
)
ketanserin (
CHEBI:6123
)
is conjugate base of
ketanserin(1+) (
CHEBI:183638
)
IUPAC Name
1-[2-(2,4-dioxo-1,4-dihydroquinazolin-3(2
H
)-yl)ethyl]-4-(4-fluorobenzoyl)piperidinium
Synonym
Source
ketanserin cation
ChEBI
Last Modified
09 November 2021