*Storage: Keep in dark place,Sealed in dry,2-8°C.
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Closantel is a salicylanilide anthelmintic compound and exhibits different anthelmintic spectra and apparent toxicity in mammals.
Synonyms: NSC 335306
4.5
*For Research Use Only !
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Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
CAS No. : | 57808-65-8 |
Formula : | C22H14Cl2I2N2O2 |
M.W : | 663.07 |
SMILES Code : | C2=C(C(C1=CC=C(C=C1)Cl)C#N)C(=CC(=C2C)NC(C3=CC(=CC(=C3O)I)I)=O)Cl |
Synonyms : |
NSC 335306
|
MDL No. : | MFCD00661151 |
InChI Key : | JMPFSEBWVLAJKM-UHFFFAOYSA-N |
Pubchem ID : | 42574 |
GHS Pictogram: | ![]() |
Signal Word: | Warning |
Hazard Statements: | H317-H319 |
Precautionary Statements: | P280-P305+P351+P338 |
Num. heavy atoms | 30 |
Num. arom. heavy atoms | 18 |
Fraction Csp3 | 0.09 |
Num. rotatable bonds | 5 |
Num. H-bond acceptors | 3.0 |
Num. H-bond donors | 2.0 |
Molar Refractivity | 137.11 |
TPSA ? Topological Polar Surface Area: Calculated from | 73.12 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from | 3.63 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by | 7.22 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from | 6.93 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from | 5.71 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by | 7.56 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions | 6.21 |
Log S (ESOL):? ESOL: Topological method implemented from | -8.61 |
Solubility | 0.00000161 mg/ml ; 0.0000000024 mol/l |
Class? Solubility class: Log S scale | Poorly soluble |
Log S (Ali)? Ali: Topological method implemented from | -8.58 |
Solubility | 0.00000175 mg/ml ; 0.0000000026 mol/l |
Class? Solubility class: Log S scale | Poorly soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by | -10.12 |
Solubility | 0.0000000502 mg/ml ; 0.0000000001 mol/l |
Class? Solubility class: Log S scale | Insoluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg | Low |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg | No |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) | Yes |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) | No |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) | No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) | Yes |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) | No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) | No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from | -5.22 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from | 2.0 |
Ghose? Ghose filter: implemented from | None |
Veber? Veber (GSK) filter: implemented from | 0.0 |
Egan? Egan (Pharmacia) filter: implemented from | 1.0 |
Muegge? Muegge (Bayer) filter: implemented from | 2.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat | 0.17 |
PAINS? Pan Assay Interference Structures: implemented from | 0.0 alert |
Brenk? Structural Alert: implemented from | 1.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from | No; 1 violation:MW<2.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) | 3.22 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran; acetonitrile; | A solution of <strong>[57808-65-8]closantel</strong> in a mixed solvent system of acetonitrile and tetrahydrofuran is treated with an equimolar amount of monoisopropanolamine. The reaction is stirred at 40 C, and then room temperature. Evapoaration of the solvents leads to the isolation of the monoisopropanolamine salt of <strong>[57808-65-8]closantel</strong>. After purification using the standard methods, the salt is characterized. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In propylene glycol; ethanol; benzyl alcohol; | N-methylglucamine is added to a suspension of <strong>[57808-65-8]closantel</strong> in ethanol, benzyl alcohol, and propylene glycol. With stirring, the salt of <strong>[57808-65-8]closantel</strong> forms in situ, forming a solution. Moxidectin is then added, and stirred until solution is obtained. The formulation is then brought to volume with propylene glycol. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In propylene glycol; ethanol; benzyl alcohol; | Diethanolamine is added to a suspension of <strong>[57808-65-8]closantel</strong> in ethanol, benzyl alcohol, and propylene glycol. With stirring, the salt of <strong>[57808-65-8]closantel</strong> forms in situ, forming a solution. Moxidectin is then added, and stirred until solution is obtained. The formulation is then brought to volume with propylene glycol. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In ethoxyethoxyethanol; | EXAMPLE 1 Preparation Of A Pour-On Formulation Containing An Organic Amine Salt Of <strong>[57808-65-8]Closantel</strong> Ingredients g/200 mL % w/v <strong>[57808-65-8]Closantel</strong> 60.00 30.00 Diethylene glycol 60.0 30.00 Monoethyl ether Ethanol amine 6.6 3.30 Benzyl alcohol 10.0 5.00 Oleic acid 60.0 30.00 Moxidectin 1.04 0.52 Ethanol, USP qs to 200 ml qs to 100 A stirred mixture of <strong>[57808-65-8]closantel</strong> in diethylene glycol monoethyl ether is treated with ethanolamine, and stirring is continued until solution is complete, thus forming the salt in situ. To this solution is then added a solution of moxidectin in benzyl alcohol, followed by the addition of oleic acid and ethanol. Stirring is continued until the mixture is homogeneous. | |
In 2-pyrrolidinon; polypropylene glycol 400; benzyl alcohol; | Ethanolamine is added to a suspension of <strong>[57808-65-8]closantel</strong> in benzyl alcohol, 2- pyrrolidone and polypropylene glycol 400. With stirring, the salt of formed in situ, forming a solution. Moxidectin is then added, and stirred until solution is obtained. The formulation is then brought to volume with PEG 400. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran; acetonitrile; | A solution of <strong>[57808-65-8]closantel</strong> in a mixed solvent system of acetonitrile and tetrahydrofuran is treated with an equimolar amount of diisopropanolamine. The reaction is stirred at 40 C, and then room temperature. Evaporation of the solvents leads to the isolation of the diisopropanolamine salt of <strong>[57808-65-8]closantel</strong>. After purification using the standard methods, the salt is characterized. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
0.7 parts (67.5%) | EXAMPLE XXXII A warm solution of 1 part of N-{5-chloro-4-[alpha-(4-chlorophenyl)-alpha-cyanomethyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide, 0.3 parts of sodium hydroxide solution 10N, 8 parts of methanol and 10 parts of water is allowed to crystallize. The product is filtered off, washed with water and dried, yielding 0.7 parts (67.5%)of N-{5-chloro-4-[alpha-(4-chlorophenyl)-alpha-cyanomethyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide, sodium salt hydrate; mp. 270 -300 C. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
EXAMPLE X A mixture of 4 parts of 2-hydroxy-3,5-diiodobenzoyl chloride, 2.9 parts of 4-amino-2-chloro-alpha-(4-chlorophenyl)-5-methylbenzeneacetonitrile and 75 parts of 1,4-dioxane is stirred and refluxed for 10 minutes. The reaction mixture is evaporated and the oily residue is crystallized from methanol. The product is filtered off and dried, yielding 5.3 parts of N-{5-chloro-4-[alpha-(4-chlorophenyl)-alpha-cyanomethyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide; mp. 217.8 C. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
99.3% | With sodium hydroxide; In water; at 70.0℃; for 6.0h;Sealed tube; | In a 1000 mL sealed four-neck reaction flask, 80 g of sodium hydroxide and 500 mL of water were added and stirred uniformly and was added to the above obtained Example 7 663.1 g of <strong>[57808-65-8]closantel</strong> (IV), and the mixture was heated to 70 C for 6 hours. After cooling to room temperature and filtration, a pale yellow solid <strong>[57808-65-8]closantel</strong> sodium (I) 680.3 g was obtained, yield 99.3%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89.1% | In toluene; at 50.0℃; for 6.0h;Reflux; Sealed tube; | In a 1000 mL sealed four-neck reaction flask, 291.2 g of 4-amino-2-chloro-5-methyl-alpha-(4-chlorophenyl)phenylacetonitrile (III) and 500 mL of toluene were added, stirred and dissolved, and the temperature was controlled at 50C, 389.9 g of 2-hydroxy-3,5-diiodobenzoyl chloride in toluene solution was added dropwise, and the dropwise addition time was 1 hour. After the completion of the dropwise addition, the temperature was raised to reflux and stirring was continued for 5 hours.After completion of the reaction, the reaction was completed, and the solvent toluene was recovered to give a pale-yellow solid, closantel (IV), 590.8 g, yield: 89.1%. |
Tags: 57808-65-8 synthesis path| 57808-65-8 SDS| 57808-65-8 COA| 57808-65-8 purity| 57808-65-8 application| 57808-65-8 NMR| 57808-65-8 COA| 57808-65-8 structure
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
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