Physicochemical Properties
| Molecular Formula | C6H9I2NO |
| Molecular Weight | 364.9507 |
| Exact Mass | 364.877 |
| CAS # | 25655-41-8 |
| PubChem CID | 410087 |
| Appearance | Typically exists as solid at room temperature |
| Boiling Point | 217.6ºC at 760 mmHg |
| Melting Point | 300ºC |
| Flash Point | 93.9ºC |
| Vapour Pressure | 0.132mmHg at 25°C |
| LogP | 2.461 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 10 |
| Complexity | 120 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | II.O=C1C([H])([H])C([H])([H])C([H])([H])N1C([H])=C([H])[H] |
| InChi Key | CPKVUHPKYQGHMW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C6H9NO.I2/c1-2-7-5-3-4-6(7)8;1-2/h2H,1,3-5H2; |
| Chemical Name | 1-ethenylpyrrolidin-2-one;molecular iodine |
| 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 |
| 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
| ln Vitro | The MIC values of povidone-iodine (PVP-I) are 31.25 mg/L and 7.82 mg/L respectively. Treatment of cells with povidone-iodine (PVP-I) at a 1:32 dilution resulted in a substantial 90-95% drop in cell viability in all cell lines examined [1]. |
| ln Vivo | The group that received Dp + povidone-iodine (PVP-I) had the second-highest mean score from day 13 until the conclusion of the study period. Additionally, compared to the control group, the Dp+povidone-iodine and Dp+Et-OH groups had significantly higher eosinophil counts (p<0.05 and p<0.001, respectively). The eosinophil counts of the Dp+povidone-iodine (PVP-I), Dp+CHG, and Dp+vehicle groups did not, however, differ significantly [2]. |
| References |
[1]. Iodine-lithium-alpha-dextrin (ILαD) against Staphylococcus aureus skin infections: a comparative study of in-vitro bactericidal activity and cytotoxicity between ILαD and povidone-iodine. J Hosp Infect. 2017 Jul 20. pii: S0195-6701(17)30395-X. [2]. Effect of the Hand Antiseptic Agents Benzalkonium Chloride, Povidone-Iodine, Ethanol, and Chlorhexidine Gluconate on Atopic Dermatitis in NC/Nga Mice. Int J Med Sci. 2015; 12(2): 116–125. |
| Additional Infomation |
An iodinated polyvinyl polymer used as topical antiseptic in surgery and for skin and mucous membrane infections, also as aerosol. The iodine may be radiolabeled for research purposes. See also: Povidone-Iodine (annotation moved to). |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~15 mg/mL H2O : ~2.4 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.5 mg/mL (Infinity 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 15.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1.5 mg/mL (Infinity 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 15.0 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: 100 mg/mL (Infinity 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 | 2.7401 mL | 13.7005 mL | 27.4010 mL | |
| 5 mM | 0.5480 mL | 2.7401 mL | 5.4802 mL | |
| 10 mM | 0.2740 mL | 1.3701 mL | 2.7401 mL |