Physicochemical Properties
| Molecular Formula | C20H26CLN5O7S2 |
| Molecular Weight | 548.0327 |
| Exact Mass | 547.096 |
| CAS # | 111696-23-2 |
| Related CAS # | Cefetamet;65052-63-3;Cefetamet pivoxyl;65243-33-6 |
| PubChem CID | 5485221 |
| Appearance | White to off-white solid powder |
| Boiling Point | 732.3ºC at 760 mmHg |
| Flash Point | 396.7ºC |
| Vapour Pressure | 9.78E-22mmHg at 25°C |
| LogP | 2.551 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 35 |
| Complexity | 933 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | Cl[H].S1C([H])([H])C(C([H])([H])[H])=C(C(=O)OC([H])([H])OC(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)N2C([C@]([H])([C@@]12[H])N([H])C(/C(/C1=C([H])SC(N([H])[H])=N1)=N/OC([H])([H])[H])=O)=O |
| InChi Key | XAAOHMIKXULDKJ-LZRHLYMTSA-N |
| InChi Code | InChI=1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11+;/t12-,16-;/m1./s1 |
| Chemical Name | 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;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
| Additional Infomation | Cefetamet Pivoxil Hydrochloride is the hydrochloride salt form of cefetamet pivoxil, a pivalate ester prodrug form of a cefetamet. After oral administration of cefetamet pivoxil hydrochloride, the ester bond is cleaved, releasing active cefetamet. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~182.47 mM) H2O : ~0.67 mg/mL (~1.22 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.75 mg/mL (5.02 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 27.5 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: ≥ 2.75 mg/mL (5.02 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 27.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8247 mL | 9.1236 mL | 18.2472 mL | |
| 5 mM | 0.3649 mL | 1.8247 mL | 3.6494 mL | |
| 10 mM | 0.1825 mL | 0.9124 mL | 1.8247 mL |