| Size | Price | Stock | Qty |
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As a metabolite of Clomipramine, N-Desmethyl Clomipramine retains activity at serotonin and norepinephrine transporters (SERT and NET). It functions as a serotonin and norepinephrine reuptake inhibitor, contributing to the antidepressant effects of the parent drug. The compound also interacts with various neurotransmitter receptors including histaminergic, muscarinic, and adrenergic receptors, which may contribute to its side effect profile.
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| ln Vitro |
N-Desmethyl Clomipramine hydrochloride (Desmethylclomipramine hydrochloride) is a primary plasma N-desmethyl metabolite of Clomipramine. Clomipramine is a tricyclic antidepressant (TCA) used for the treatment of depression and obsessive-compulsive disorder. The N-desmethyl metabolite contributes to the pharmacological activity of the parent drug, particularly in terms of norepinephrine reuptake inhibition. The deuterated form (D3) is chemically identical to the non-deuterated form but has a distinct mass for analytical detection.
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| ln Vivo |
As a metabolite and analytical standard, N-Desmethyl Clomipramine D3 hydrochloride is not typically evaluated for in vivo pharmacological activity in animal models. Its primary use is as an internal standard in bioanalytical assays. The non-deuterated metabolite, N-Desmethyl Clomipramine, is pharmacologically active and contributes to the antidepressant effects of Clomipramine in vivo. Pharmacokinetic studies using the deuterated compound as an internal standard enable accurate quantification of the parent drug and its metabolites in biological samples.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not typically performed for the deuterated metabolite as it is used primarily as an analytical standard. For the non-deuterated metabolite, binding assays at serotonin transporters (SERT) and norepinephrine transporters (NET) can be performed using membrane preparations from cells expressing these transporters. Radioligand binding assays using [³H]-imipramine or [³H]-nisoxetine are used to determine affinity at SERT and NET, respectively. Competition binding experiments with varying concentrations of N-Desmethyl Clomipramine are conducted, and IC50 values are calculated.
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| Cell Assay |
No specific cell-based assay protocols are documented for N-Desmethyl Clomipramine D3 hydrochloride. For cellular activity assessment of the non-deuterated metabolite, neurotransmitter uptake inhibition assays can be performed using cells expressing human serotonin or norepinephrine transporters. Cells are incubated with varying concentrations of the compound and [³H]-serotonin or [³H]-norepinephrine. Uptake is measured by scintillation counting after washing. The deuterated compound is not typically used in such assays as its purpose is analytical rather than pharmacological.
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| Animal Protocol |
Animal studies are not typically conducted with the deuterated metabolite. The compound is used as an internal standard in pharmacokinetic studies, where it is spiked into biological samples (plasma, urine, tissues) from animals or humans dosed with Clomipramine. Sample preparation involves protein precipitation, liquid-liquid extraction, or solid-phase extraction followed by LC-MS/MS analysis. The deuterated internal standard corrects for matrix effects, extraction recovery, and ionization efficiency, ensuring accurate quantification of the parent drug and its metabolites.
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| ADME/Pharmacokinetics |
The deuterated compound has a molecular weight of 340.31, which is 3 Da higher than the non-deuterated form (337.31). This mass difference allows for differentiation in mass spectrometric detection. The compound is intended for research and analytical applications, including method development, method validation (AMV), and Quality Controlled (QC) applications for ANDA filings. It should be stored as powder at -20°C for up to 3 years or in solution at -80°C for up to 1 year.
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| Toxicity/Toxicokinetics |
No specific toxicity data are documented for N-Desmethyl Clomipramine D3 hydrochloride. As a deuterated analytical standard, the compound is used in trace amounts in bioanalytical assays and poses minimal exposure risk. The non-deuterated metabolite, N-Desmethyl Clomipramine, has a safety profile similar to that of Clomipramine, including potential for cardiotoxicity, sedation, anticholinergic effects, and seizure risk at high doses. Standard laboratory safety practices should be followed when handling the compound.
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| References | |
| Additional Infomation |
N-Desmethyl Clomipramine D3 hydrochloride (also known as Desmethylclomipramine-d3 hydrochloride or Norclomipramine-d3 hydrochloride) is a stable isotope-labeled internal standard. It is used in LC-MS/MS methods for the quantification of Clomipramine and its metabolites in pharmacokinetic, bioequivalence, and therapeutic drug monitoring studies. The compound has a purity of ≥99%. It is supplied as a hydrochloride salt for improved stability and solubility. The compound is intended for research use only and is not for human therapeutic use.
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| Molecular Formula |
C18H19D3CL2N2
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|---|---|
| Molecular Weight |
340.305
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| Exact Mass |
339.134
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| CAS # |
1189971-04-7
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| Related CAS # |
N-Desmethyl Clomipramine hydrochloride;29854-14-6
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| PubChem CID |
46781158
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| Appearance |
Off-white to light yellow solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
22
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| Complexity |
322
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])NCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl
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| InChi Key |
KMDDAZOLOSKTKZ-NIIDSAIPSA-N
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| InChi Code |
InChI=1S/C18H21ClN2.ClH/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21;/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3;1H/i1D3;
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| Chemical Name |
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9385 mL | 14.6925 mL | 29.3850 mL | |
| 5 mM | 0.5877 mL | 2.9385 mL | 5.8770 mL | |
| 10 mM | 0.2938 mL | 1.4692 mL | 2.9385 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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