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CHEBI:9123 - sertraline

ChEBI IDCHEBI:9123
ChEBI Namesertraline
Stars
DefinitionA 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.
Last Modified22 February 2017
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FormulaC17H17Cl2N
Net Charge0
Average Mass306.236
Monoisotopic Mass305.07380
SMILES[H][C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@H](NC)c2ccccc21
InChIInChI=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
InChIKeyVGKDLMBJGBXTGI-SJCJKPOMSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
INNs  Source
sertralineChemIDplus
sertralinum  laChemIDplus
sertralina  esChemIDplus
Synonyms  Source
SertralineKEGG COMPOUND
(1S-cis)-1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamineChemIDplus
cis-(+)-sertralineChEBI
(1S,4S)-sertralineChemIDplus
(+)-sertralineChEBI
CP 51974NIST Chemistry WebBook
Manual XrefsDatabases
C07246KEGG COMPOUND
D02360KEGG DRUG
SertralineWikipedia
DB01104DrugBank
US4536518Patent
HMDB0005010HMDB
SREPDBeChem
LSM-3843LINCS
2436DrugCentral
Registry NumbersSources
Reaxys:5753709Reaxys
CAS:79617-96-2KEGG COMPOUND
CAS:79617-96-2ChemIDplus
CAS:79617-96-2NIST Chemistry WebBook
Citations