loading...| Preferred Name | (S)-duloxetine | |
| Synonyms |
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine LY 248686 (S)-duloxetine (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36795 |
|
| alternative term |
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine LY 248686 (S)-duloxetine (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:972 Beilstein:4297128 DrugBank:DB00476 CAS:116539-59-4 LINCS:LSM-3591 Wikipedia:Duloxetine |
|
| formula |
C18H19NOS |
|
| has_exact_synonym |
(S)-duloxetine (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine LY 248686 |
|
| id |
CHEBI:36795 |
|
| in_subset | ||
| 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-/m0/s1 |
|
| inchikey |
ZEUITGRIYCTCEM-KRWDZBQOSA-N |
|
| is_enantiomer_of | ||
| label |
(S)-duloxetine |
|
| mass |
297.41560 |
|
| monoisotopicmass |
297.11874 |
|
| notation |
CHEBI:36795 |
|
| prefLabel |
(S)-duloxetine |
|
| smiles |
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |
|
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_36795 | FIDEO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_36795 | BIOMODELS | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_36795 | CHEBI | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_36795 | BIOMODELS | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_36795 | CHEBI | LOOM |