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:31526 - (
S
)-duloxetine hydrochloride
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
S
)-duloxetine hydrochloride
ChEBI ID
CHEBI:31526
ChEBI ASCII Name
(S)-duloxetine hydrochloride
Definition
A duloxetine hydrochloride in which the duloxetine moiety has
S
configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formulae
C18H19NOS.HCl
C18H20ClNOS
Net Charge
0
Average Mass
333.87600
Monoisotopic Mass
333.09541
InChI
InChI=1S/C18H19NOS.ClH/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;1H/t17-
;/m0./s1
InChIKey
BFFSMCNJSOPUAY-LMOVPXPDSA-N
SMILES
Cl.CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Roles Classification
Application
(s):
antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-duloxetine hydrochloride (
CHEBI:31526
)
has part
(
S
)-duloxetine (
CHEBI:36795
)
(
S
)-duloxetine hydrochloride (
CHEBI:31526
)
has role
antidepressant (
CHEBI:35469
)
(
S
)-duloxetine hydrochloride (
CHEBI:31526
)
is a
duloxetine hydrochloride (
CHEBI:36808
)
IUPAC Name
(3
S
)-
N
-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride
Synonyms
Sources
(3
S
)-
N
-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride
IUPAC
Cymbalta
ChemIDplus
duloxetine hydrochloride
ChemIDplus
Manual Xref
Database
D01179
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
136434-34-9
CAS Registry Number
ChemIDplus
8168890
Reaxys Registry Number
Reaxys
Last Modified
17 August 2011