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ChEBI
> Main
CHEBI:80602 - Citalopram N-oxide
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ChEBI Ontology
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ChEBI Name
Citalopram N-oxide
ChEBI ID
CHEBI:80602
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C20H21FN2O2
Net Charge
0
Average Mass
340.39130
Monoisotopic Mass
340.15871
InChI
InChI=1S/C20H21FN2O2/c1-
23(2,24)
11-
3-
10-
20(17-
5-
7-
18(21)
8-
6-
17)
19-
9-
4-
15(13-
22)
12-
16(19)
14-
25-
20/h4-
9,12H,3,10-
11,14H2,1-
2H3
InChIKey
DIOGFDCEWUUSBQ-UHFFFAOYSA-N
SMILES
CN(C)(=O)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Citalopram N-oxide (
CHEBI:80602
)
is a
benzenes (
CHEBI:22712
)
Citalopram N-oxide (
CHEBI:80602
)
is a
organic amino compound (
CHEBI:50047
)
Manual Xrefs
Databases
C16607
KEGG COMPOUND
HMDB0060654
HMDB
View more database links