Encyclopedia / Animal Pharmaceuticals / Antineoplastic Agents / Pharmaceutical Intermediates

Diclazuril

CAS：101831-37-2
MW:407.635
MF：C17H9Cl3N4O2

Diclazuril (molecular formula: C17H9Cl3N4O2, Trade name: Vecoxan) belongs to a kind of coccidiostat and potent antiprotozoal agents. It is mainly used for the treatment, control, prevention and improvements of Coccidal infections. It alleviates the symptoms of the patients by interrupting the life cycle of the parasites. It induces the morphological changes and attenuates the mitochondrial transmembrane potential in meroites. It can prevent congenital toxoplasmosis and have anticoccidial effects in vivo. It is active through oral administration. View more+

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Related Questions

1. Names and Identifiers

1.1 Name: Diclazuril

1.2 Synonyms: (4-Chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazinan-2-yl)phenyl]acetonitrile; 2-(4-chlorophenyl)-2-[2,6-dichloro-3-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile; 2-(4-Chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile; 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile; 2,6-Dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile; Benzeneacetonitrile, 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-; Benzeneacetonitrile, 2,6-dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-; Benzeneacetonitrile, 2,6-dichloro-α-(4-chlorophenyl)-4-(tetrahydro-3,5-dioxo-1,2,4-triazin-2(1H)-yl)-; Benzeneacetonitrile,2,6-dichloro-R-(4-chlorophenyl)- 4-(4,5-dihydro-3,5-dioxo-1,2,4- triazin-2(3H)-yl)-; Clinacox; Diclaznril; Nuoqiu; P 64433; R 64433; Vecoxan;

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1.3 CAS No.: 101831-37-2

1.4 CID: 456389

1.5 EINECS: 1806241-263-5

1.6 Molecular Formula: C17H9Cl3N4O2

1.7 Inchi: InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)

1.8 InChkey: ZSZFUDFOPOMEET-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl

1.10 Isomers Smiles: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl

2. Properties

2.1 Appearance: yellowish or white powder

2.2 Chemical Properties: Off-White Solid

2.3 Color/Form: Powder

2.4 pKa: 5.89±0.20(Predicted)

2.5 Water Solubility: almost insoluble in water

2.6 Stability: Stable at normal temperatures and pressures.

2.7 StorageTemp: 0-6°C

3. Use and Manufacturing

3.1 Description: Off-White SolidDiclazuril (molecular formula: C17H9Cl3N4O2, Trade name: Vecoxan) belongs to a kind of coccidiostat and potent antiprotozoal agents. It is mainly used for the treatment, control, prevention and improvements of Coccidal infections. It alleviates the symptoms of the patients by interrupting the life cycle of the parasites. It induces the morphological changes and attenuates the mitochondrial transmembrane potential in meroites. It can prevent congenital toxoplasmosis and have antic

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3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 9 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 1 of 9 companies. For more detailed information, please visit ECHA C&L website

Of the 3 notification(s) provided by 8 of 9 companies with hazard statement code(s):

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410 (25%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P273, P391, and P501

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3.3 Usage: Nucleotide analog with broad-spectrum anticoccidial activity. Coccidiostat.

4. Safety and Handling

4.1 Specification: ?Diclazuril (CAS NO.101831-37-2) is also named as (p-Chlorophenyl)(2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-as-triazin-2(3H)-yl)phenyl)acetonitrile ; Clinacox ; DCL ; DCZL ; DRG-0079 ; Diclazurilo ; Diclazurilo [Spanish] ; Diclazurilum ; Diclazurilum [Latin] ; R64,433 ; UNII-K110K1B1VE?.?Diclazuril (CAS NO.101831-37-2) is yellowish or white powder. It is?almost insoluble in water, slightly soluble in ethanol, ethyl ether, dissolved in DMF, DMSO,?THF.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H400 Very toxic to aquatic life
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Computed Properties

Molecular Weight：407.635g/mol
Molecular Formula：C₁₇H₉Cl₃N₄O₂
Compound Is Canonicalized：True
Exact Mass：4.1
XLogP3-AA：405.979109
Monoisotopic Mass：405.979109
Complexity：629
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：85.6
Heavy Atom Count：：26
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccB7sAAGAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHgIYAAAADQrBmCQxwILAAAC4BjVzUACSBAAhBwAeiAAAZoiIoCLBk5GEIAh4nSJIyC8QgMAOjAAAAAKBAAAYAAAABQIAAAAAAAAAAA==

7.Other Information

Merck: 14,3080

Description: Diclazuril (molecular formula: C17H9Cl3N4O2, Trade name: Vecoxan) belongs to a kind of coccidiostat and potent antiprotozoal agents. It is mainly used for the treatment, control, prevention and improvements of Coccidal infections. It alleviates the symptoms of the patients by interrupting the life cycle of the parasites. It induces the morphological changes and attenuates the mitochondrial transmembrane potential in meroites. It can prevent congenital toxoplasmosis and have anticoccidial effects in vivo. It is active through oral administration.

View all

References: http://www.tabletwise.com/medicine/diclazuril
https://en.wikipedia.org/wiki/Diclazuril
http://www.abcam.com/diclazuril-ab143604.html

Chemical Properties: Off-White Solid

Uses: Nucleotide analog with broad-spectrum anticoccidial activity. Coccidiostat.

Uses: antiprotozoal

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9. Related Questions

: What are the application precautions for Diclazuril in preventing coccidiosis outbreaks? Diclazuril is a nucleoside analog with high efficiency, low toxicity, and broad-spectrum anti-coccidial efficacy, effective against all Eimeria species infecting chickens. It is a white or pale yello..; What is the mechanism of action of Diclazuril in veterinary medicine?Introduction of Diclazuril Diclazuril is a less toxic, orally administered triazine antiprotozoal widely used in veterinary medicine. It is registered for oral use in broilers and lambs, and off-label..; What is the pharmacological action, usage, and dosage of Diclazuril?Diclazuril is a triazine benzene nitrile compound that has excellent killing effects on various types of poultry coccidiosis, including soft, pile-forming, toxic, Eimeria brunetti, and giant Eimeria. ..; How long should Diclazuril be used?Diclazuril is usually in powder form and has no significant odor. This ingredient is often used in veterinary medicine to provide certain insecticidal effects. In theory, any medication, whether for h..