| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
Serotonin transporter (SERT). Citalopram is a selective serotonin reuptake inhibitor (SSRI). The deuterated standard is chemically inert and serves as an analytical reference material without pharmacological activity in research use.
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|---|---|
| ln Vitro |
As a deuterated internal standard for LC-MS/MS analysis, no direct in vitro pharmacological activity is relevant for this compound. The non-deuterated parent compound citalopram inhibits SERT with high affinity (Ki low nM range), increasing synaptic serotonin levels. The deuterated analog co-elutes with citalopram under chromatographic conditions but is used only for quantification.
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| ln Vivo |
No in vivo activity is relevant as this compound is an analytical standard. Citalopram-d4 is not intended for in vivo efficacy studies. It is specifically designed as an internal standard for the quantification of citalopram in biological matrices such as plasma, serum, urine, and tissue homogenates in preclinical and clinical pharmacokinetic studies.
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| Enzyme Assay |
Cell-free binding assays are not applicable for citalopram-d4 as it is an analytical internal standard. For bioanalytical method validation, citalopram-d4 is spiked into blank biological matrices (plasma, urine, tissue) at known concentrations. The samples are processed by protein precipitation or SPE and analyzed by LC-MS/MS. The deuterium label provides a mass shift of +4 Da, enabling mass spectrometric resolution from the non-deuterated analyte.
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| Cell Assay |
Cell-based assays are not performed for citalopram-d4. The compound is used exclusively as an analytical reference material in bioanalytical workflows. For method development, citalopram-d4 is added to biological samples prior to extraction to correct for matrix effects, extraction efficiency, and ionization variability. No cellular activity or cytotoxicity assessments are conducted.
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| Animal Protocol |
For bioanalytical method validation in PK studies, biological samples (plasma, urine, tissue homogenates) containing citalopram are spiked with citalopram-d4 as the internal standard. The samples are processed by protein precipitation with acetonitrile or methanol, followed by LC-MS/MS analysis. Chromatographic separation is typically achieved on a C18 column. The deuterated internal standard corrects for variability in sample preparation and mass spectrometry ionization.
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| ADME/Pharmacokinetics |
Citalopram-d4 is an analytical standard, not a therapeutic agent. As a deuterated internal standard, it exhibits the same extraction recovery, chromatographic retention, and ionization efficiency as citalopram due to its nearly identical chemical structure (four deuterium atoms on the fluorophenyl ring). It has high isotope purity (≥99.5 atom % D) and chemical purity (≥98%). Storage: 4degC sealed, away from moisture.
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| Toxicity/Toxicokinetics |
No toxicity data are reported for citalopram-d4 as it is not administered to animals or humans for pharmacological purposes. Standard safety data for the non-deuterated parent compound citalopram include nausea, dry mouth, drowsiness, insomnia, and QT prolongation at supratherapeutic doses. The deuterated analog is not evaluated for toxicological endpoints and is for research use only.
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| References | |
| Additional Infomation |
Other information: Citalopram-d4 hydrobromide has a molecular formula of C20H18D4BrFN2O with molecular weight 409.33 g/mol. CAS number: 1219803-58-3. The parent compound citalopram (CAS: 59729-32-7) is an SSRI used for depression and anxiety disorders. The deuterated form is primarily utilized in pharmacokinetic studies and metabolic profiling to provide detailed information on drug metabolism and distribution. Synonyms include (+/-)-Citalopram-D4 Hbr. It is for research use only.
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| Molecular Formula |
C20H18D4BRFN2O
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|---|---|
| Molecular Weight |
409.33
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| Exact Mass |
404.089
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| CAS # |
1219803-58-3
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| Related CAS # |
Citalopram;59729-33-8;Citalopram-d6;1190003-26-9;Citalopram-d6 oxalate;1246819-94-2
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| PubChem CID |
91826099
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
25
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| Complexity |
466
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(C#N)C=C2COC(CCCN(C)C)(C3C([2H])=C([2H])C(F)=C([2H])C=3[2H])C2=CC=1.Br
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| InChi Key |
WIHMBLDNRMIGDW-VBMPRCAQSA-N
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| InChi Code |
InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H/i5D,6D,7D,8D;
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| Chemical Name |
1-[3-(dimethylamino)propyl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4430 mL | 12.2151 mL | 24.4302 mL | |
| 5 mM | 0.4886 mL | 2.4430 mL | 4.8860 mL | |
| 10 mM | 0.2443 mL | 1.2215 mL | 2.4430 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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