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MedKoo Cat#: 564781 | Name: Esmirtazapine

Description:

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

Esmirtazapine is a potent antagonist of 5-hydroxytryptamine type 2 (5-HT2), 5-HT3, and histamine 1 (H1) receptors, and a moderate antagonist of peripheral alpha 1 adrenergic and muscarinic receptors.

Chemical Structure

Esmirtazapine
Esmirtazapine
CAS#61337-87-9 (free base)

Theoretical Analysis

MedKoo Cat#: 564781

Name: Esmirtazapine

CAS#: 61337-87-9 (free base)

Chemical Formula: C17H19N3

Exact Mass: 265.1579

Molecular Weight: 265.36

Elemental Analysis: C, 76.95; H, 7.22; N, 15.84

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.
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Related CAS #
1448014-35-4 (HCl) 680993-85-5 (maleate) 61337-87-9 (free base)
Synonym
ORG50081; ORG-50081; ORG 50081; (+)-Mirtazapine; Esmirtazapine
IUPAC/Chemical Name
(S)-1,2,3,4,10,14b-Hexahydro-2-methylpyrazino(2,1-a)pyrido(2,3-c)(2)benzazepine
InChi Key
RONZAEMNMFQXRA-MRXNPFEDSA-N
InChi Code
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3/t16-/m1/s1
SMILES Code
CN1C[C@]2([H])C3=CC=CC=C3CC4=CC=CN=C4N2CC1
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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 265.36 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: Ruwe F, IJzerman-Boon P, Roth T, Zammit G, Ivgy-May N. A Phase 2 Randomized Dose-Finding Study With Esmirtazapine in Patients With Primary Insomnia. J Clin Psychopharmacol. 2016 Oct;36(5):457-64. doi: 10.1097/JCP.0000000000000546. PubMed PMID: 27482970. 2: Ivgy-May N, Ruwe F, Krystal A, Roth T. Esmirtazapine in non-elderly adult patients with primary insomnia: efficacy and safety from a randomized, 6-week sleep laboratory trial. Sleep Med. 2015 Jul;16(7):838-44. doi: 10.1016/j.sleep.2015.04.001. Epub 2015 Apr 16. PubMed PMID: 26047892. 3: Ivgy-May N, Roth T, Ruwe F, Walsh J. Esmirtazapine in non-elderly adult patients with primary insomnia: efficacy and safety from a 2-week randomized outpatient trial. Sleep Med. 2015 Jul;16(7):831-7. doi: 10.1016/j.sleep.2015.03.005. Epub 2015 Mar 30. PubMed PMID: 26047890. 4: Ramaekers JG, Conen S, de Kam PJ, Braat S, Peeters P, Theunissen EL, Ivgy-May N. Residual effects of esmirtazapine on actual driving performance: overall findings and an exploratory analysis into the role of CYP2D6 phenotype. Psychopharmacology (Berl). 2011 May;215(2):321-32. doi: 10.1007/s00213-010-2149-4. Epub 2011 Jan 19. PubMed PMID: 21246188; PubMed Central PMCID: PMC3083504.