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CHEBI:9124 - sertraline hydrochloride

ChEBI IDCHEBI:9124
ChEBI Namesertraline hydrochloride
Stars
DefinitionA hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.
Last Modified19 March 2012
DownloadsMolfile
FormulaC17H17Cl2N.HCl
Net Charge0
Average Mass342.697
Monoisotopic Mass341.05048
SMILESCl.[H][C@@]1(c2ccc(Cl)c(Cl)c2)CC[C@H](NC)c2ccccc21
InChIInChI=1S/C17H17Cl2N.ClH/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;1H/t12-,17-;/m0./s1
InChIKeyBLFQGGGGFNSJKA-XHXSRVRCSA-N
Wikipedia
Roles Classification
Biological Role:
serotonin uptake inhibitor  A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
Applications:
serotonin uptake inhibitor  A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
sertraline hydrochloride (CHEBI:9124) has part sertraline(1+) (CHEBI:64214)
sertraline hydrochloride (CHEBI:9124) has role antidepressant (CHEBI:35469)
sertraline hydrochloride (CHEBI:9124) has role serotonin uptake inhibitor (CHEBI:50949)
sertraline hydrochloride (CHEBI:9124) is a hydrochloride (CHEBI:36807)
IUPAC Name 
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
Synonyms  Source
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-aminium chlorideIUPAC
(1S-cis)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochlorideChEBI
(+)-cis-(1S,4S)-1-methylamino-4-(3,4-dichlorophenyl)tetralin hydrochlorideChEBI
sertraline HClChemIDplus
(+)-sertraline hydrochlorideChEBI
Brand Names  Source
ZoloftKEGG DRUG
LustralChEBI
Manual XrefsDatabases
DB01104DrugBank
D00825KEGG DRUG
SertralineWikipedia
US2008161412Patent
HMDB0005010HMDB
Registry NumbersSources
Reaxys:5783715Reaxys
CAS:79559-97-0KEGG DRUG
CAS:79559-97-0ChemIDplus
Citations