loading...| Preferred Name |
Sertraline |
|
| Synonyms |
(1S,4S)-sertraline sertralinum cis-(+)-sertraline (1S-cis)-1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine (+)-sertraline CP 51974 sertralina sertraline (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Sertraline |
|
| Definitions |
A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9123 |
|
| alternative label |
(1S,4S)-sertraline sertralinum cis-(+)-sertraline (1S-cis)-1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine (+)-sertraline CP 51974 sertralina sertraline (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Sertraline |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB01104 Wikipedia:Sertraline KEGG:C07246 PDBeChem:SRE PMID:19502000 PMID:21823671 Drug_Central:2436 KEGG:D02360 CAS:79617-96-2 Reaxys:5753709 Patent:US4536518 Beilstein:5753709 HMDB:HMDB0005010 LINCS:LSM-3843 |
|
| definition |
A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder. |
|
| formula |
C17H17Cl2N |
|
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Sertraline |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(1S,4S)-sertraline sertralinum cis-(+)-sertraline (1S-cis)-1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine (+)-sertraline CP 51974 sertralina sertraline |
|
| has_RxCUI |
36437 |
|
| id |
CHEBI:9123 |
|
| in_subset | ||
| inchi |
InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 |
|
| inchikey |
VGKDLMBJGBXTGI-SJCJKPOMSA-N |
|
| is conjugate base of | ||
| is_bearer_of | ||
| label |
Sertraline sertraline |
|
| mass |
306.23000 |
|
| monoisotopicmass |
305.07380 |
|
| notation |
CHEBI:9123 |
|
| prefLabel |
Sertraline |
|
| smiles |
[H][C@]1(CC[C@H](NC)c2ccccc12)c1ccc(Cl)c(Cl)c1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 |