 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C20H27N3O8 |
| Molecular Weight | 437.44 |
| Exact Mass | 437.18 |
| CAS # | 1949-20-8 |
| PubChem CID | 264891 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.066g/cm3 |
| Boiling Point | 364.8ºC at 760 mmHg |
| Melting Point | 153-154ºC |
| Flash Point | 174.4ºC |
| Vapour Pressure | 1.64E-05mmHg at 25°C |
| LogP | 1.372 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 31 |
| Complexity | 454 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O([H])C(C(=O)O[H])(C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H].O1C(C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])=NC(C2C([H])=C([H])C([H])=C([H])C=2[H])=N1 |
| InChi Key | RBZIGQJSMCOHSS-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| Chemical Name | N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| 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
| References |
[1]. Sustained-release dosage form of oxolamine citrate: preparation and release kinetics. J Microencapsul. Apr-Jun 1992;9(2):167-72. [2]. [On the anti-inflammatory action of oxolamine citrate]. Minerva Med. 1961 Oct 31;52:3752-5. |
| Additional Infomation | See also: Oxolamine (annotation moved to). |
Solubility Data
| Solubility (In Vitro) |
DMSO: ≥ 100 mg/mL (228.60 mM) H2O: 14.29 mg/mL (32.67 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.72 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 (5.72 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.72 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 4: 28 mg/mL (64.01 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2860 mL | 11.4301 mL | 22.8603 mL | |
| 5 mM | 0.4572 mL | 2.2860 mL | 4.5721 mL | |
| 10 mM | 0.2286 mL | 1.1430 mL | 2.2860 mL |