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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:80603 - Demethylcitalopram
Main
ChEBI Ontology
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ChEBI Name
Demethylcitalopram
ChEBI ID
CHEBI:80603
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C19H19FN2O
Net Charge
0
Average Mass
310.36540
Monoisotopic Mass
310.14814
InChI
InChI=1S/C19H19FN2O/c1-
22-
10-
2-
9-
19(16-
4-
6-
17(20)
7-
5-
16)
18-
8-
3-
14(12-
21)
11-
15(18)
13-
23-
19/h3-
8,11,22H,2,9-
10,13H2,1H3
InChIKey
PTJADDMMFYXMMG-UHFFFAOYSA-N
SMILES
CNCCCC1(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
Demethylcitalopram (
CHEBI:80603
)
is a
benzenes (
CHEBI:22712
)
Demethylcitalopram (
CHEBI:80603
)
is a
organic amino compound (
CHEBI:50047
)
Manual Xrefs
Databases
C16608
KEGG COMPOUND
HMDB0014021
HMDB
HMDB0060576
HMDB
View more database links
Registry Number
Type
Source
62498-67-3
CAS Registry Number
KEGG COMPOUND