Esmirtazapine HCl

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MedKoo CAT#: 414077

CAS#: 1448014-35-4 (HCl)

Description: Esmirtazapine HCl is the salt form of Esmirtazapine, 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

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Esmirtazapine HCl
CAS# 1448014-35-4 (HCl)
Instruction

Theoretical Analysis

MedKoo Cat#: 414077
Name: Esmirtazapine HCl
CAS#: 1448014-35-4 (HCl)
Chemical Formula: C17H20ClN3
Exact Mass: 301.13
Molecular Weight: 301.820
Elemental Analysis: C, 67.65; H, 6.68; Cl, 11.75; N, 13.92

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Related CAS #: 1448014-35-4 (HCl)   680993-85-5 (maleate)   61337-87-9 (free base)  

Synonym: Esmirtazapine HCl; Esmirtazapine hydrochloride

IUPAC/Chemical Name: (S)-2-methyl-1,2,3,4,10,14b-hexahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepine hydrochloride

InChi Key: SISMRXGXKXMBKT-PKLMIRHRSA-N

InChi Code: InChI=1S/C17H19N3.ClH/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;1H/t16-;/m1./s1

SMILES Code: CN1CCN2[C@@H](c3c(Cc4c2nccc4)cccc3)C1.Cl

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 301.82 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.