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MedKoo Cat#: 413317 | Name: Sertraline Free Base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Sertraline Free Base is a Selective Serotonin Reuptake Inhibitor (SSRI). It can treat depression, obsessive-compulsive disorder (OCD), posttraumatic stress disorder (PTSD), premenstrual dysphoric disorder (PMDD), social anxiety disorder, and panic disorder.

Chemical Structure

Sertraline Free Base
CAS#79617-96-2 (free base)

Theoretical Analysis

MedKoo Cat#: 413317

Name: Sertraline Free Base

CAS#: 79617-96-2 (free base)

Chemical Formula: C17H17Cl2N

Exact Mass: 305.0738

Molecular Weight: 306.23

Elemental Analysis: C, 66.68; H, 5.60; Cl, 23.15; N, 4.57

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
79559-97-0 (HCl) 79617-96-2 (free base)
Synonym
Sertraline Free Base; HSDB7037; HSDB-7037; HSDB 7037
IUPAC/Chemical Name
1-Naphthalenamine, 1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-, (1S-cis)-
InChi Key
VGKDLMBJGBXTGI-SJCJKPOMSA-N
InChi Code
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
SMILES Code
CN[C@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C3=C1C=CC=C3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM comments
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 306.23 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: DeVane CL, Liston HL, Markowitz JS. Clinical pharmacokinetics of sertraline. Clin Pharmacokinet. 2002;41(15):1247-66. doi: 10.2165/00003088-200241150-00002. PMID: 12452737. 2: Cipriani A, La Ferla T, Furukawa TA, Signoretti A, Nakagawa A, Churchill R, McGuire H, Barbui C. Sertraline versus other antidepressive agents for depression. Cochrane Database Syst Rev. 2010 Apr 14;(4):CD006117. doi: 10.1002/14651858.CD006117.pub4. PMID: 20393946; PMCID: PMC4163971. 3: Cuomo A, Maina G, Neal SM, De Montis G, Rosso G, Scheggi S, Beccarini Crescenzi B, Bolognesi S, Goracci A, Coluccia A, Ferretti F, Fagiolini A. Using sertraline in postpartum and breastfeeding: balancing risks and benefits. Expert Opin Drug Saf. 2018 Jul;17(7):719-725. doi: 10.1080/14740338.2018.1491546. Epub 2018 Jul 5. PMID: 29927667. 4: Walkup JT, Albano AM, Piacentini J, Birmaher B, Compton SN, Sherrill JT, Ginsburg GS, Rynn MA, McCracken J, Waslick B, Iyengar S, March JS, Kendall PC. Cognitive behavioral therapy, sertraline, or a combination in childhood anxiety. N Engl J Med. 2008 Dec 25;359(26):2753-66. doi: 10.1056/NEJMoa0804633. Epub 2008 Oct 30. Erratum in: N Engl J Med. 2013 Jan 31;368(5):490. PMID: 18974308; PMCID: PMC2702984. 5: Pediatric OCD Treatment Study (POTS) Team. Cognitive-behavior therapy, sertraline, and their combination for children and adolescents with obsessive- compulsive disorder: the Pediatric OCD Treatment Study (POTS) randomized controlled trial. JAMA. 2004 Oct 27;292(16):1969-76. doi: 10.1001/jama.292.16.1969. PMID: 15507582. 6: Duignan KM, Quinn AM, Matson AM. Serotonin syndrome from sertraline monotherapy. Am J Emerg Med. 2020 Aug;38(8):1695.e5-1695.e6. doi: 10.1016/j.ajem.2019.158487. Epub 2019 Nov 16. PMID: 31837902. 7: Paulzen M, Goecke TW, Stickeler E, Gründer G, Schoretsanitis G. Sertraline in pregnancy - Therapeutic drug monitoring in maternal blood, amniotic fluid and cord blood. J Affect Disord. 2017 Apr 1;212:1-6. doi: 10.1016/j.jad.2017.01.019. Epub 2017 Jan 21. PMID: 28129551. 8: Shen ZQ, Gao SY, Li SX, Zhang TN, Liu CX, Lv HC, Zhang Y, Gong TT, Xu X, Ji C, Wu QJ, Li D. Sertraline use in the first trimester and risk of congenital anomalies: a systemic review and meta-analysis of cohort studies. Br J Clin Pharmacol. 2017 Apr;83(4):909-922. doi: 10.1111/bcp.13161. Epub 2016 Dec 4. PMID: 27770542; PMCID: PMC5346877. 9: Dziurkowska E, Wesolowski M. Sertraline - isolation methods and quantitation in biological material. Psychiatr Pol. 2018 Dec 29;52(6):997-1012. English, Polish. doi: 10.12740/PP/85788. Epub 2018 Dec 29. PMID: 30659562. 10: Glassman AH, O'Connor CM, Califf RM, Swedberg K, Schwartz P, Bigger JT Jr, Krishnan KR, van Zyl LT, Swenson JR, Finkel MS, Landau C, Shapiro PA, Pepine CJ, Mardekian J, Harrison WM, Barton D, Mclvor M; Sertraline Antidepressant Heart Attack Randomized Trial (SADHEART) Group. Sertraline treatment of major depression in patients with acute MI or unstable angina. JAMA. 2002 Aug 14;288(6):701-9. doi: 10.1001/jama.288.6.701. Erratum in: JAMA 2002 Oct 9;288(14):1720. PMID: 12169073.

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