 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C16H25CL2N |
| Molecular Weight | 302.28 |
| Exact Mass | 301.136 |
| CAS # | 84467-94-7 |
| Related CAS # | Desmethyl Sibutramine;168835-59-4 |
| PubChem CID | 13083195 |
| Appearance | White to off-white solid powder |
| LogP | 5.588 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 19 |
| Complexity | 252 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | OUVFHVJVFLFXPQ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H24ClN.ClH/c1-12(2)11-15(18-3)16(9-4-10-16)13-5-7-14(17)8-6-13;/h5-8,12,15,18H,4,9-11H2,1-3H3;1H |
| Chemical Name | 1-[1-(4-chlorophenyl)cyclobutyl]-N,3-dimethylbutan-1-amine;hydrochloride |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| Targets | NET and SERT[1] |
| References |
[1]. Brain serotonin transporter occupancy by oral sibutramine dosed to steady state: a PET study using (11)C-DASB in healthy humans. Neuropsychopharmacology. 2010 Feb;35(3):741-51. [2]. The contribution of metabolites to the rapid and potent down-regulation of rat cortical beta-adrenoceptors by the putative antidepressant sibutramine hydrochloride. Neuropharmacology. 1989 Feb;28(2):129-34. [3]. Analysis of six synthetic adulterants in herbal weight-reducing dietary supplements by LC electrospray ionization-MS. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2008 Jul;25(7):822-30. [4]. Quantification of sibutramine and its two metabolites in human plasma by LC-ESI-MS/MS and its application in a bioequivalence study. J Pharm Anal. 2012 Aug;2(4):249-257. |
Solubility Data
| Solubility (In Vitro) | DMSO: 62.5 mg/mL (206.76 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.88 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 20.8 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: ≥ 2.08 mg/mL (6.88 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 20.8 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.88 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3082 mL | 16.5410 mL | 33.0819 mL | |
| 5 mM | 0.6616 mL | 3.3082 mL | 6.6164 mL | |
| 10 mM | 0.3308 mL | 1.6541 mL | 3.3082 mL |