95233-18-4
Atovaquone
CAS: 95233-18-4
Molecular Formula: C22H19ClO3
95233-18-4 - Names and Identifiers
95233-18-4 - Physico-chemical Properties
| Molecular Formula | C22H19ClO3 |
| Molar Mass | 366.84 |
| Density | 1.349±0.06 g/cm3(Predicted) |
| Melting Point | 216-2190C |
| Boling Point | 535.0±50.0 °C(Predicted) |
| Flash Point | 277.348°C |
| Solubility | DMSO: >10mg/mL |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | powder |
| Color | yellow |
| Maximum wavelength(λmax) | ['494nm(aq. Buffer)(lit.)'] |
| Merck | 14,866 |
| pKa | 5.01±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.653 |
| Physical and Chemical Properties | Crystallized from acetonitrile, melting point 216-219 ℃. |
| Use | This product is for scientific research only and shall not be used for other purposes. |
| In vitro study | Atovaquone (atavaquone) is a naphthalene compound. Atovaquone is hydroxy-1, 4-naphthoquinone, a ubiquinone analog, which has activity against Pneumocystis. Atovaquone is an antigenic insect mitochondrial electron transfer inhibitor, an antimalarial agent, an anti-Pneumocystis, and is also used in the treatment of toxoplasmosis. It works by interacting with Rieske iron-sulfur proteins and cytochrome B in the ubiquinone oxidation pocket, inhibiting the cytochrome bc(1) complex. |
| In vivo study | Atovaquone is a unique naphthoquinone with a broad spectrum of antiprotozoal activity. It is effective for the treatment and prevention of Pneumocystis carinii pneumonia (PCP), it is effective for the treatment and prevention of malaria in combination with proguanil, and it is effective for the treatment of babesiosis in combination with azithromycin. |
95233-18-4 - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | 3077 |
| WGK Germany | 3 |
| RTECS | QJ5616500 |
| HS Code | 29147000 |
95233-18-4 - Reference Information
| uses | atovaquinone is a derivative of hydroxynaphthoquinone that inhibits mitochondrial electron transport. Anti-emphysema. It is a second-line drug for the treatment of Pneumocystis carinii Pneumonia (PCP) associated with AIDS. For mild to moderate to the standard therapy of trimethoprim-sulfamethoxazole-resistant PCP patients. |
| biological activity | Atovaquone (Atavaquone) for the treatment or prevention of Pneumocystis Pneumonia, toxoplasmosis, malaria and babesia. |
| production method | in the presence of aluminum trichloride, cyclohexene is subjected to Friedd-Crafts acylation reaction with acetyl chloride to form orange intermediate and chlorobenzene, 4-(4-chlorophenyl) cyclohexylmethyl ketone (I) is obtained. It is oxidized with bromine in the water tide of sodium hydroxide to give 4-(4-chlorophenyl) cyclohexane -1-carboxylic acid (II). In the presence of nitric acid forging, and 2-chloro-1, 4-naphthoquinone reaction, the resulting product in methanol, and sodium hydroxide aqueous solution reflux hydrolysis, to get the atropine. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:49:11
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View History
95233-18-4
24186-38-7
64296-19-1
十八酸铵
四氢小檗碱
Tetramethylammonium bromide perbromide
AKOS BBS-00000449
167298-23-9
130309-37-4
24186-38-7
64296-19-1
十八酸铵
四氢小檗碱
Tetramethylammonium bromide perbromide
AKOS BBS-00000449
167298-23-9
130309-37-4