| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Labetalone hydrochloride is an impurity of labetalol and does not have a defined pharmacological target. Labetalol itself targets α- and β-adrenergic receptors, blocking the effects of catecholamines to lower blood pressure. The impurity is used as a reference standard for quality control.
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|---|---|
| ln Vitro |
Labetalone hydrochloride does not exhibit significant pharmacological activity. It is a chemical impurity of labetalol. Its primary use is as a reference standard for the identification and quantification of impurities in labetalol formulations by HPLC.
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| ln Vivo |
In vivo, labetalone hydrochloride is not administered as a therapeutic agent. It may be present as a trace impurity in labetalol formulations. Its safety and toxicological profile are assessed in the context of pharmaceutical quality control to ensure that impurity levels remain below acceptable limits.
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| Enzyme Assay |
In vitro assays for labetalone hydrochloride typically involve its use as a reference standard in HPLC or LC-MS methods for impurity profiling of labetalol. The compound is characterized by its retention time, UV spectrum, and mass spectrum. System suitability tests are performed to ensure proper separation.
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| Cell Assay |
For in vitro cell assays, labetalone hydrochloride is not typically used as a treatment. It may be tested for cytotoxicity in cell-based assays to assess its safety as an impurity. Cells are cultured and treated with the compound at various concentrations, and cell viability is assessed by standard assays.
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| Animal Protocol |
For in vivo animal studies, labetalone hydrochloride is not typically administered as a therapeutic agent. Toxicological studies may be conducted to assess the safety of this impurity at relevant exposure levels. Animals are administered labetalol formulations containing the impurity, and toxicological endpoints are monitored.
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| ADME/Pharmacokinetics |
Labetalone hydrochloride (MW 378.85) has the molecular formula C₁₉H₂₃ClN₂O₃. It has a melting point of 125-128°C. The compound is stable under recommended storage conditions. It is soluble in DMSO and other organic solvents. It is also known as rac-Keto Labetalol Hydrochloride.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available for labetalone hydrochloride. As a pharmaceutical impurity, its toxicity is assessed in the context of quality control. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
See other relationships...
Labetalone hydrochloride (CAS# 96441-14-4) is a designated impurity of the antihypertensive drug labetalol. It has not been approved as a therapeutic agent. The compound is used as a reference standard in pharmaceutical quality control for impurity profiling of labetalol formulations. It is also known as Labetalol EP Impurity F. |
| Molecular Formula |
C19H23CLN2O3
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|---|---|
| Molecular Weight |
362.85
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| Exact Mass |
362.14
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| CAS # |
96441-14-4
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| PubChem CID |
51066502
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| Appearance |
Off-white to light yellow solid powder
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| Melting Point |
125-128ºC(lit.)
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| LogP |
4.177
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
25
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| Complexity |
421
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(CCC1=CC=CC=C1)NCC(=O)C2=CC(=C(C=C2)O)C(=O)N.Cl
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| InChi Key |
DJHFVUYXWAEVRA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H22N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24);1H
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| Chemical Name |
2-hydroxy-5-[2-(4-phenylbutan-2-ylamino)acetyl]benzamide;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 Vitro) |
DMSO: 100 mg/mL (275.60 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.89 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.89 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (6.89 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7560 mL | 13.7798 mL | 27.5596 mL | |
| 5 mM | 0.5512 mL | 2.7560 mL | 5.5119 mL | |
| 10 mM | 0.2756 mL | 1.3780 mL | 2.7560 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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