| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
Norepinephrine transporter (NET) and dopamine transporter (DAT). Bupropion is a dual norepinephrine-dopamine reuptake inhibitor (NDRI). The deuterated standard is chemically inert and co-elutes with the analyte without affecting target engagement.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
As an analytical standard, no direct in vitro pharmacological activity is relevant. The non-deuterated parent compound bupropion inhibits NET and DAT reuptake, increasing synaptic levels of norepinephrine and dopamine, contributing to its antidepressant and smoking cessation effects. The deuterated analog is presumed to have similar pharmacology but is used only as an internal standard. |
| ln Vivo |
No in vivo activity is relevant as this compound is an analytical standard. Bupropion-d9 is not intended for pharmacological or in vivo efficacy studies. It is specifically designed and validated for use as an internal standard in bioanalytical methods to quantify bupropion and its metabolites in biological matrices for pharmacokinetic and toxicokinetic studies.
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| Enzyme Assay |
Cell-free enzyme/receptor binding assays are not applicable for bupropion-d9 as it is an analytical internal standard. For bioanalytical method validation, bupropion-d9 is added to blank biological matrices (plasma, urine, tissue homogenates) at known concentrations (e.g., 10-100 ng/mL). Samples are processed by protein precipitation or solid-phase extraction and analyzed by LC-MS/MS. The mass shift of +9 Da allows differentiation from non-deuterated bupropion.
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| Cell Assay |
Cell-based assays are not performed for bupropion-d9 as it is an analytical standard. For bioanalytical workflows, the internal standard is spiked into biological samples prior to sample preparation. Forced degradation studies may be performed to assess stability. No cellular activity or cytotoxicity assays are conducted. The compound is used exclusively as a quantitative reference material.
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| Animal Protocol |
For bioanalytical method validation, bupropion-d9 is administered to animals (rats or dogs) together with non-deuterated bupropion in PK studies. Blood samples are collected at predetermined time points (0-24 hours), and plasma is isolated. Samples are spiked with internal standard before LC-MS/MS analysis. This enables accurate quantification of bupropion concentrations. The deuterated compound co-elutes with bupropion but is resolved by mass spectrometry due to its mass shift (+9 Da).
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| ADME/Pharmacokinetics |
Bupropion-d9 is an analytical reference material, not a therapeutic agent. For use as an internal standard, it exhibits the same extraction recovery and chromatographic retention as bupropion due to its identical chemical structure except for hydrogen/deuterium substitution. The stability of bupropion-d9 in solution is long-term (≥1 year at -20degC). It has ≥99.5 atom % D enrichment. Storage: powder at -20degC, protected from light.
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| Toxicity/Toxicokinetics |
No toxicity data are reported for bupropion-d9 as it is not intended for in vivo administration to humans or animals. Standard safety data for the non-deuterated parent compound bupropion include seizure risk at high doses, dry mouth, insomnia, headache, and nausea. The deuterated analog is not evaluated for toxicological endpoints as it is used only as an analytical standard, not for therapeutic or pharmacological studies.
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| References |
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| Additional Infomation |
Other information: Bupropion-d9 hydrochloride has a molecular formula of C13H10D9Cl2NO with molecular weight 285.26 g/mol. CAS number: 1189725-26-5 (also 1189724-26-5). It is a certified reference material (CRM) available from commercial suppliers for use in GC-MS or LC-MS. The compound is essential for accurate quantification of bupropion in pharmacokinetic studies, toxicology testing, and clinical therapeutic drug monitoring. Synonyms include Amfebutamone-d9 hydrochloride. Purity is typically ≥99.8% with ≥99.5 atom % deuterium. It is for research use only.
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| Molecular Formula |
C13H10D9CL2NO
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|---|---|
| Molecular Weight |
285.26
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| Exact Mass |
284.141
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| CAS # |
1189725-26-5
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| PubChem CID |
45038477
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| Appearance |
White to off-white solid powder
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| LogP |
4.492
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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 |
17
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| Complexity |
247
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)C1=CC(=CC=C1)Cl.Cl
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| InChi Key |
HEYVINCGKDONRU-WWMMTMLWSA-N
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| InChi Code |
InChI=1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H/i2D3,3D3,4D3;
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| Chemical Name |
1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one;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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | 3.5056 mL | 17.5279 mL | 35.0557 mL | |
| 5 mM | 0.7011 mL | 3.5056 mL | 7.0111 mL | |
| 10 mM | 0.3506 mL | 1.7528 mL | 3.5056 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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