Molecular Identity
sertraline
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID: 68617
Sertraline is 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. It has a role as an antidepressant and a serotonin uptake inhibitor. It is a dichlorobenzene, a member of tetralins and a secondary amino compound. It is a conjugate base of a sertraline(1+). It derives from a hydride of a tetralin.
2D Structure
Properties
C17H17Cl2N
Molecular Formula
306.20
Molecular Weight
g/mol
305.0738
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
12
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
322
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
sertraline79617-96-2(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine(+)-SertralineSertralinaSertralinumcis-(+)-sertralineCp 51974(1S,4S)-sertralineQUC7NX6WMB(1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamineCHEBI:9123DTXSID60235771-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis)-Altruline
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to sertraline
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