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Buy Sertraline (Zoloft) Cas 79617-96-2

Buy Sertraline (Zoloft) Cas 79617-96-2

Buy Sertraline (Zoloft) Cas 79617-96-2

Sertraline, sold under the brand name Zoloft among others, is an antidepressant medication of the selective serotonin reuptake inhibitor (SSRI) class[10] used to treat major depressive disorder, generalized anxiety disorder, social anxiety disorder, obsessive–compulsive disorder (OCD), panic disorder, and premenstrual dysphoric disorder.[11] Although also having approval for post-traumatic stress disorder (PTSD), findings indicate it leads to only modest improvements in symptoms associated with this condition.[12][13]

The drug shares the common side effects and contraindications of other SSRIs, with high rates of nausea, diarrhea, headache, insomnia, mild sedation, dry mouth, and sexual dysfunction, but it appears not to lead to much weight gain, and its effects on cognitive performance are mild. Similar to other antidepressants, the use of sertraline for depression may be associated with a mildly elevated rate of suicidal thoughts in people under the age of 25 years old. It should not be used together with monoamine oxidase inhibitors (MAOIs): this combination may cause serotonin syndrome, which can be life-threatening in some cases. Sertraline taken during pregnancy is associated with an increase in congenital heart defects in newborns.[14][15]

Sertraline was developed by scientists at Pfizer and approved for medical use in the United States in 1991. It is on the World Health Organization’s List of Essential Medicines[16] and available as a generic medication.[10] In 2016, sertraline was the most commonly prescribed psychotropic medication in the United States.[17] It was also the eleventh most commonly prescribed medication in the United States, with more than 42 million prescriptions in 2023,[18][19] and sertraline ranks among the top 10 most prescribed medications in Australia between 2017 and 2023.[20]

Sertraline’s effectiveness is similar to that of other antidepressants in its class, such as fluoxetine and paroxetine, which are also considered first-line treatments and are better tolerated than the older tricyclic antidepressants.

Medical uses

Sertraline has been approved for major depressive disorder, obsessive–compulsive disorder (OCD), post-traumatic stress disorder (PTSD), premenstrual dysphoric disorder, panic disorder, social anxiety disorder (SAD), and generalized anxiety disorder (GAD). Sertraline is approved for use in children with OCD.[21]

Depression

In meta-analyses, sertraline efficacy is similar to that of other SSRI antidepressants, with an odds ratio for response in clinical depression of between 1.44 and 1.67.[22][23] However, as with other antidepressants, the nature and clinical significance of this effect remain disputed.[24][25] A major study of sertraline in a broad primary care population found improvements in general mental health, quality of life, and anxiety.[26] However, it failed to find significant effects on depression in either the mildly or severely depressed, and the clinical relevance and accuracy of the positive effects found have been questioned.[27][28]

In several double-blind studies, sertraline was consistently more effective than placebo for dysthymia, a more chronic variety of depression, and comparable to imipramine in that respect. Sertraline also improves the functional impairments of dysthymia to a similar degree whether group Cognitive-Behavioral Therapy is undergone or not.[29]

Limited pediatric data also demonstrates a reduction in depressive symptoms in the pediatric population though remains a second-line therapy after fluoxetine.[30][31]

Comparison with other antidepressants

In general, sertraline efficacy is similar to that of other antidepressants.[32] For example, a meta-analysis of 12 new-generation antidepressants showed that sertraline and escitalopram are the best in terms of efficacy and acceptability in the acute-phase treatment of adults with depression.[33] Comparative clinical trials demonstrated that sertraline is similar in efficacy against depression to moclobemide,[34] nefazodone,[35] escitalopram, bupropion,[36] citalopram, fluvoxamine, paroxetine,[33] venlafaxine,[37] and mirtazapine.[38] Sertraline may be more efficacious for the treatment of depression in the acute phase (first four weeks) than fluoxetine.

Sertraline

Catalog No.
S570982
CAS No.
79617-96-2
M.F
C17H17Cl2N
M. Wt
306.2 g/mol
Availability
In Stock
* This item is exclusively intended for research purposes and is not designed for human therapeutic applications or veterinary use.
Sertraline

General Information

Polymorphic variability in sertraline HCl (28+ forms) complicates salt crystallization and organic-phase synthesis. Sertraline free base (CAS 79617-96-2) offers a monomorphic, enantiomerically pure (1S,4S) starting point.

  • Enables direct organic-solvent reactions (soluble in hexane, toluene) without basic hydrolysis.
  • Bypasses 28+ HCl polymorphs for high-throughput salt screening (mesylate, lactate, acetate) targeting improved dissolution.
  • Supports liposomal/non-aqueous delivery design with high lipophilicity and low melting point (64-67°C).

CAS Number

79617-96-2

Product Name

Sertraline

IUPAC Name

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Molecular Formula

C17H17Cl2N

Molecular Weight

306.2 g/mol

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

InChI Key

VGKDLMBJGBXTGI-SJCJKPOMSA-N

SMILES

CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

solubility

>45.9 [ug/mL] (The mean of the results at pH 7.4)
3.8mg/mL

Synonyms

Altruline, Apo Sertraline, Apo-Sertraline, Aremis, Besitran, Gen Sertraline, Gen-Sertraline, Gladem, Hydrochloride, Sertraline, Lustral, Novo Sertraline, Novo-Sertraline, ratio Sertraline, ratio-Sertraline, Rhoxal sertraline, Rhoxal-sertraline, Sealdin, Sertraline, Sertraline Hydrochloride, Sertraline Hydrochloride (1S-cis)-Isomer, Zoloft

Canonical SMILES

CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

The exact mass of the compound Sertraline is unknown and the complexity rating of the compound is unknown. The solubility of this chemical has been described as 3.8mg/l>45.9 [ug/ml]. The storage condition is unknown. Please store according to label instructions upon receipt of goods.Use and application categories indicated by third-party sources: Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients. However, this does not mean our product can be used or applied in the same or a similar way.

Purity

≥98%

Package Size

10 mg, 100 mg

Sertraline Free Base: Properties & Procurement

Sertraline free base is the un-salified, enantiomerically pure (1S,4S) form of the widely utilized selective serotonin reuptake inhibitor (SSRI). Unlike its ubiquitous hydrochloride salt, the free base is typically isolated as a supercooled liquid or low-melting crystalline solid (melting point 64–67 °C) that exhibits high lipophilicity and excellent solubility in organic solvents such as hexane, toluene, and ethyl acetate[1]. In procurement and industrial contexts, this compound is rarely utilized as a direct oral dosage form; instead, it serves as a critical, low-polymorphism precursor for the synthesis of custom pharmaceutical salts, chiral resolution studies, and specialized lipophilic formulations[2].

Research Fit

1SERT pathway inhibition research
2Sigma-1 receptor modulation endpoint studies
3DAT interaction and dopaminergic pathway context

Sertraline Free Base vs. Hydrochloride Salts

Procuring sertraline hydrochloride (CAS 79559-97-0) as a generic substitute for the free base fundamentally limits formulation and synthesis pathways. The hydrochloride salt is notoriously polymorphic—with over 28 documented crystalline forms and solvates—which introduces significant batch-to-batch variability and regulatory complexity during recrystallization workflows [1]. Furthermore, the HCl salt’s rigid crystal lattice and poor solubility in non-polar solvents prevent its direct use in organic-phase reactions or the generation of alternative, high-solubility salts (such as mesylate or acetate) without first undergoing an additional, yield-reducing basic hydrolysis step to liberate the free base [2].

Substitution Risk

SertralineS1R antagonist profile; modulates hippocampal plasticity and NMDA responses
Other SSRIsS1R functional profile may differ; fluvoxamine and fluoxetine act as S1R agonists, not antagonists
SertralineModerate CYP2D6 inhibitor; ~30% desipramine AUC elevation
Fluoxetine / ParoxetinePotent CYP2D6 inhibition tier may not transfer; DDI risk profile differs substantially
SertralineNo clinically significant QTc prolongation at therapeutic doses
Citalopram / EscitalopramQTc prolongation endpoint context may differ; reported dose-dependent QTc signal

Quantitative Evidence for Sertraline Free Base

Reduced Polymorphism in Crystallization

High-throughput crystallization studies demonstrate that sertraline hydrochloride is highly prone to polymorphic conversion, yielding over 28 distinct forms (e.g., Forms I-X) and solvates depending on processing conditions [1]. In contrast, sertraline free base exhibits significantly reduced polymorphic behavior, consistently crystallizing from non-polar solvents with a single, predictable melting endotherm at 66.5 ± 0.5 °C [2].

Evidence Dimension Number of documented polymorphic/solvate forms
Target Compound Data Single primary crystalline form (m.p. 64-69 °C)
Comparator Or Baseline Sertraline Hydrochloride (>28 documented forms/solvates)
Quantified Difference >95% reduction in polymorphic variability
Conditions High-throughput solvent crystallization screening

Predictable solid-state behavior eliminates the need for extensive polymorph screening and control during the manufacturing of custom formulations.

Treatment Persistence
Head-to-head
Sertraline (reference) vs escitalopram: RR 1.22 (95% CI 1.18–1.25); fluoxetine: RR 1.13 (1.10–1.17); paroxetine: RR 1.06 (1.01–1.10); citalopram: RR 1.00 (0.98–1.02)
Reported treatment-persistence endpoint context
Danish registry; n=106,920; 2-year follow-up

High-Solubility Salt Precursor

The standard sertraline hydrochloride Form I exhibits poor aqueous solubility, recorded at approximately 1.6 mg/mL at room temperature, which limits its use in sustained-release or high-concentration liquid formulations [1]. Procuring the free base allows for direct, single-step salification with alternative acids. For instance, the resulting sertraline mesylate and acetate salts demonstrate significantly enhanced aqueous solubilities, exceeding 10 mg/mL, without the common-ion effect limitations of the HCl salt at low pH [2].

Evidence Dimension Aqueous solubility of resulting salt forms
Target Compound Data >10 mg/mL (via direct conversion to acetate/mesylate salts)
Comparator Or Baseline Sertraline HCl Form I (~1.6 mg/mL)
Quantified Difference >6-fold increase in achievable aqueous solubility
Conditions Room temperature dissolution in aqueous media

Starting with the free base is essential for formulators needing to engineer custom salts to overcome the inherent dissolution bottlenecks of the commercial HCl API.

Acceptability
Head-to-head
Sertraline: 24% dropout, 59% response vs fluoxetine: 28% dropout, 52% response; NNT=25 to avoid one discontinuation
Reported acceptability endpoint context
Meta-analysis of multiple RCTs; mean follow-up 8.1 weeks

Enhanced Non-Polar Solvent Solubility

Sertraline free base is highly soluble in a range of non-polar and moderately polar organic solvents, such as toluene, ethyl acetate, and hexane, often existing as a supercooled liquid or easily dissolved solid [1]. Conversely, sertraline hydrochloride is highly crystalline and practically insoluble in non-polar solvents like hexane. This differential solubility allows the free base to be efficiently partitioned into organic phases during complex synthetic workups or lipid-based drug delivery formulations, where the HCl salt would precipitate [2].

Evidence Dimension Solubility in non-polar solvents (e.g., hexane, toluene)
Target Compound Data Highly soluble (enables direct organic phase reactions)
Comparator Or Baseline Sertraline Hydrochloride (Practically insoluble)
Quantified Difference Binary phase behavior (soluble vs. insoluble)
Conditions Standard organic synthesis and liquid-liquid extraction conditions

High organic solubility streamlines downstream processing, purification, and integration into lipid-based or non-aqueous delivery systems.

QTc Endpoint
Reported
Sertraline: no clinically significant QTc prolongation signal vs citalopram: ~12.6 ms prolongation at 40 mg; escitalopram: demonstrated risk
Reported cardiac-safety endpoint context
Systematic review; cross-sectional EKG n=487
CYP2D6 Inhibition
Reported
Moderate inhibition tier; ~30% desipramine AUC elevation; ~10-fold weaker than paroxetine
Reported DDI endpoint context
In vitro microsome assays; in vivo interaction studies
Genotype-Exposure
Class-level
CYP2C19 PM: +128% exposure; UM: -20%; dual PM: +189%; dual rapid: -35.4%; ~3.5-fold range
Reported PGx exposure endpoint context
n=840; TDM cohort; class-level inference
DAT & S1R Affinity
Reported
DAT Ki: 260 nM; S1R Ki: 31.6–57 nM (antagonist) vs fluoxetine S1R: 191–240 nM (agonist); paroxetine S1R: >2,000 nM
Reported receptor-binding context
In vitro radioligand assays; rat brain and recombinant human receptors

Sertraline Free Base Application Scenarios

Custom Pharmaceutical Salt Screening

Because it bypasses the polymorphic complexity of the HCl salt, the free base is the optimal starting material for high-throughput screening of novel sertraline salts (e.g., mesylate, L-lactate, acetate) aimed at improving dissolution rates and bioavailability in sustained-release formulations[1].

Lipid-Based and Non-Aqueous Formulations

The high lipophilicity and organic solvent compatibility of the free base make it the required form for developing liposomal delivery systems or non-aqueous oral concentrates where the standard HCl salt would precipitate or fail to dissolve [2].

Chiral Resolution and Phase Diagram Studies

As an enantiomerically pure (1S,4S) baseline, the free base is utilized in physical chemistry to construct binary melting point phase diagrams against sertraline racemate, aiding in the design and optimization of more efficient industrial chiral resolution processes [3].

Application Fit Matrix

Application
Selection Property
Validation Focus
MDD pragmatic trial context
Treatment-persistence endpoint review
Comparator response-rate analysis
Cardiac safety research
QTc prolongation endpoint context
ECG monitoring endpoint review
CYP-mediated DDI studies
CYP2D6 inhibition tier
Substrate AUC change monitoring
PGx-guided exposure research
Genotype-stratified exposure context
Metabolizer subgroup analysis

Specification

Physical Description

Solid

XLogP3

4.8

Hydrogen Bond Acceptor Count

1

Hydrogen Bond Donor Count

1

Exact Mass

305.0738049 g/mol

Monoisotopic Mass

305.0738049 g/mol

Boiling Point

416.3±45.0 °C

Heavy Atom Count

20

LogP

5.51

Others

Melting Point

245-246

UNII

QUC7NX6WMB

Related CAS

79559-97-0 (Hydrochloride)

Drug Indication

Sertraline is indicated for the management of major depressive disorder (MDD), post-traumatic stress disorder (PTSD), obsessive-compulsive disorder (OCD), panic disorder (PD), premenstrual dysphoric disorder (PMDD), and social anxiety disorder (SAD). Common off-label uses for sertraline include the prevention of post stroke depression, generalized anxiety disorder (GAD), fibromyalgia, premature ejaculation, migraine prophylaxis, diabetic neuropathy, and neurocardiogenic syncope.

Livertox Summary

Sertraline is a selective serotonin reuptake inhibitor (SSRI) used in the therapy of depression, anxiety disorders and obsessive-compulsive disorder. Sertraline therapy can be associated with transient asymptomatic elevations in serum aminotransferase levels and has been linked to rare instances of clinically apparent acute liver injury.

CAS 79617-96-2 Sertraline | Products & Prices & Suppliers

  • ChEBI: 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 inhibito (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.
  • Product Name: Sertraline
  • Molecular Weight: 306.23000
  • Molecular Formula: C17H17Cl2N
  • Synonyms: (+)-Sertraline; (1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine; (1S,4S)-4-(3,4-dichlorophényl)-N-méthyl-1,2,3,4-tétrahydronaphtalén-1-amine; (1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine; (1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthylamine; (1s,4s)-4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydro-1-naphthalenamine;

Drug Classes

Antidepressant Agents

Therapeutic Uses

Antidepressants, especially serotonin-reuptake inhibitors, also are employed in the management of post-traumatic stress disorder, marked by anxiety, startle, painful recollection of the traumatic events, & disturbed sleep. … The serotonin-reuptake inhibitors are agents of choice in obsessive-compulsive disorder, as well as in possibly related syndromes of impulse dyscontrol or obsessive preoccupations, including compulsive habits, bulimia (but usually not anorexia) nervosa, & body dysmorphic disorder. While their benefits may be limited, serotonin-reuptake inhibitors offer an important advance in the medical treatment of these often chronic & sometimes incapacitating disorders for which no other medical treatment, by itself, has been consistently effective, the effectiveness of pharmacological treatment of these commonly treatment-resistant disorders is greatly enhanced by use of behavioral treatments. In addition to the wide use of modern antidepressants to treat depression commonly associated with general medical illnesses, several psychosomatic disorders may respond at least partly to treatment with antidepressants of the tricyclic, MAO inhibitor, or serotonin-reuptake inhibitor types. These include chronic pain disorders, including adiabetic & other peripheral neuropathic syndromes (for which tertiaryamine tricyclics are probably superior to fluoxetine); fibromyalgia; peptic ulcer & irritable bowel syndrome; chronic fatigue; cataplexy; tics; migraine; & sleep apnea. /Antidepressants; Serotonin-reuptake inhibitors/
Sertraline is indicated for the treatment of major depressive disorder. Treatment of acute depressive episodes typically requires 6 to 12 months of antidepressant therapy. Patients with recurrent or chronic depression may require long-term treatment. Sertraline showed effective maintenance of antidepressant response for up to 52 weeks of treatment in a placebo-controlled trial. /Included in US product labeling/
Sertraline is indicated for the treatment of obsession and compulsions in adults and children 6 years of age and older with obsessive-compulsive disorder. /Included in US product labeling/
Sertraline is indicated for the treatment of panic disorder with or without agoraphobia. /Included in US product labeling/

Mechanism of Action

Sertraline selectively inhibits the reuptake of serotonin (5-HT) at the presynaptic neuronal membrane, thereby increasing serotonergic activity. This results in an increased synaptic concentration of serotonin in the CNS, which leads to numerous functional changes associated with enhanced serotonergic neurotransmission. These c
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