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> Main
CHEBI:36796 - duloxetine
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ChEBI Ontology
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ChEBI Name
duloxetine
ChEBI ID
CHEBI:36796
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
No supplier information found for this compound.
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Formula
C18H19NOS
Net Charge
0
Average Mass
297.41560
Monoisotopic Mass
297.11874
InChI
InChI=1S/C18H19NOS/c1-
19-
12-
11-
17(18-
10-
5-
13-
21-
18)
20-
16-
9-
4-
7-
14-
6-
2-
3-
8-
15(14)
16/h2-
10,13,17,19H,11-
12H2,1H3
InChIKey
ZEUITGRIYCTCEM-UHFFFAOYSA-N
SMILES
CNCCC(Oc1cccc2ccccc12)c1cccs1
Roles Classification
Biological Role
(s):
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
duloxetine (
CHEBI:36796
)
has role
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor (
CHEBI:76779
)
duloxetine (
CHEBI:36796
)
is a
thiophenes (
CHEBI:26961
)
Incoming
duloxetine hydrochloride (
CHEBI:36808
)
has part
duloxetine (
CHEBI:36796
)
(
R
)-duloxetine (
CHEBI:36797
)
is a
duloxetine (
CHEBI:36796
)
(
S
)-duloxetine (
CHEBI:36795
)
is a
duloxetine (
CHEBI:36796
)
IUPAC Name
N
-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
Synonym
Source
N
-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine
IUPAC
Registry Numbers
Types
Sources
116539-58-3
CAS Registry Number
ChemIDplus
8842375
Beilstein Registry Number
Beilstein
Citation
Type
Source
20825390
PubMed citation
Europe PMC
Last Modified
20 February 2014