Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:36797 - (
R
)-duloxetine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
R
)-duloxetine
ChEBI ID
CHEBI:36797
ChEBI ASCII Name
(R)-duloxetine
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
eMolecules:35999321
,
ZINC000001536780
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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/t17-
/m1/s1
InChIKey
ZEUITGRIYCTCEM-QGZVFWFLSA-N
SMILES
CNCC[C@@H](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).
(via
duloxetine
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
R
)-duloxetine (
CHEBI:36797
)
is a
duloxetine (
CHEBI:36796
)
(
R
)-duloxetine (
CHEBI:36797
)
is enantiomer of
(
S
)-duloxetine (
CHEBI:36795
)
Incoming
(
R
)-duloxetine hydrochloride (
CHEBI:36806
)
has part
(
R
)-duloxetine (
CHEBI:36797
)
(
S
)-duloxetine (
CHEBI:36795
)
is enantiomer of
(
R
)-duloxetine (
CHEBI:36797
)
IUPAC Name
(3
R
)-
N
-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
Synonym
Source
(3
R
)-
N
-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine
IUPAC
Registry Number
Type
Source
4297127
Beilstein Registry Number
Beilstein
Last Modified
17 October 2009