结构:N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl
HCID456389

Diclazuril

2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile

C17H9Cl3N4O2407.6 g/molCAS 101831-37-2

IDENTITY

结构与身份

标准 SMILES
N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl
InChIKey
ZSZFUDFOPOMEET-UHFFFAOYSA-N
分子式
C17H9Cl3N4O2
平均分子量
407.6 g/mol
单同位素质量
405.979109

COMPUTED

结构计算性质

已同步
XLogP
4.1
极性表面积
85.6 Ų
氢键供体
1
氢键受体
4
可旋转键
3
重原子
26
形式电荷
0
复杂度
629

GHS

GHS 分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H361 (76.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H373 (78.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (19.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.;There are 5 notifications provided by 45 of 46 reports by companies with hazard statement code(s).;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. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Regulation (EC) No 1831/2003 (amended)

Diclazuril: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories

Repr. 2 (76.1%);STOT RE 2 (78.3%);Aquatic Acute 1 (19.6%)

Aquatic Acute 1 (100%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Regulation (EC) No 1831/2003 (amended)

Diclazuril: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

PHARMACOLOGY

药理信息

来源:PubChem
ATC Code

QP - Antiparasitic products, insecticides and repellents;QP51 - Antiprotozoals;QP51B - Agents against coccidiosis;QP51BC - Triazines against coccidiosis;QP51BC03 - Diclazuril

MeSH Pharmacological Classification

Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals.

USES

用途与制造

来源:PubChem
Use Classification

Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

ALIASES

名称与别名

109
DICLAZURIL101831-37-2ClinacoxVecoxanNuoqiuDiclazuriloDiclazurilumDTXSID4046787Diclazuril for veterinary useNSC-759642K110K1B1VER64,433P-644332,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrileBenzeneacetonitrile, 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-DTXCID2026787R-64-433Protazil2,6-Dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl]benzeneacetonitrileClinacox 0.2%

REACTIONS

参与反应

6
HRID950899

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 950899 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看条件与参与物
HRID1140780

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为生成物
HRID 1140780 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看条件与参与物