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基本情報
- CAS
101831-37-2- 標準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
- 単同位体質量
- 405.979109
名称と識別子
- 優先名称
- Diclazuril
- IUPAC
- 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
- 現地名
- ジクラズリル
- 英語名
- Diclazuril
- 分子式
- C17H9Cl3N4O2
- 分子量
- 407.64
名称と別名
DICLAZURIL101831-37-2ClinacoxVecoxanNuoqiuDiclazuriloDiclazurilumDTXSID4046787Diclazuril for veterinary useNSC-759642K110K1B1VER64,433
名称をさらに表示
4-クロロ-α-[2,6-ジクロロ-4-[(2,3,4,5-テトラヒドロ-3,5-ジオキソ-1,2,4-トリアジン)-2-イル]フェニル]ベンゼンアセトニトリル2-[4-(4-クロロ-α-シアノベンジル)-3,5-ジクロロフェニル]-1,2,4-トリアジン-3,5(2H,4H)-ジオンジクラズリル2-[3,5-ジクロロ-4-(α-シアノ-4-クロロベンジル)フェニル]-1,2,4-トリアジン-3,5(2H,4H)-ジオン(4-クロロフェニル)[2,6-ジクロロ-4-[(2,3,4,5-テトラヒドロ-3,5-ジオキソ-1,2,4-トリアジン)-2-イル]フェニル]アセトニトリルジクラズリル標準品2,6-ジクロロ-α-(4-クロロフェニル)-4-[4,5-ジヒドロ-3,5-ジオキソ-1,2,4-トリアジン-2(3H)-イル]ベンゼンアセトニトリルヌオキウベコキサン2-(4-クロロフェニル)-2-[2,6-ジクロロ-4-(3,5-ジオキソ-2,3,4,5-テトラヒドロ-1,2,4-トリアジン-2-イル)フェニル]アセトニトリルクリナコックスDiclazuril powderQiujiaR-64433clinazoxiclazurilDICLAZUTIL
P-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%
データベース識別子
- CAS
101831-37-2- PubChem CID
- 456389
- DTXSID
DTXSID4046787- ChEMBL
CHEMBL284733- ChEBI
CHEBI:95118- UNII
- K110K1B1VE
- EC Number
- 640-372-7、692-717-6
- Nikkaji
- J413.493A
物性
構造計算による物性補完中
- XLogP
- 4.1
- 極性表面積
- 85.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 629
物理化学的性質
- 融点
- 290.5 ° · 290.5°
- 比重(密度)
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 5 mg/mL; · DMF: 5mg/mL; DMSO: 5mg/mL; DMSO:PBS (pH 7.2) (1:5): 0.16mg/mL
- 酸解離定数(Pka)
- 5.89 · 5.89±0.20(Predicted)
- 外見
- Solid
- 色
- White to Light yellow to Light orange
- Merck
- 14 · 14,3080
- 主な用途
- 法医学と毒物学医薬品（低分子化合物）
- 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)
- InChIKey
- ZSZFUDFOPOMEET-UHFFFAOYSA-N
- SMILES
- C1(C=C(C(C(C#N)C2=CC=C(Cl)C=C2)=C(Cl)C=1)Cl)N1N=CC(=O)NC1=O
- LogP
- 2.439 · 2.439 (est)
- CAS データベース
- 101831 · 101831-37-2(CAS DataBase Reference)
化学的性質
化学的特性Light yellow or off-white powder, almost insoluble in water, slightly soluble in ethanol, ether, soluble in N,N-2 methylformamide (DMF), dimethylsulfone (DMSO), tetrahydrofuran (THF).
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
法規制情報
Regulatory Information
Regulation (EC) No 1831/2003 (amended)
化学と産業
薬理情報
ATC CodeQP - Antiparasitic products, insecticides and repellents；QP51 - Antiprotozoals；QP51B - Agents against coccidiosis；QP51BC - Triazines against coccidiosis；QP51BC03 - Diclazuril
MeSH Pharmacological ClassificationAgents useful in the treatment or prevention of COCCIDIOSIS in man or animals.
用途と製造
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
応用分野
用途HPLC用標準品
使用Diclazuril is a triazinone antiprotozoal that Nucleotide analog with broad-spectrum anticoccidial activity. It has a control effect on a variety of coccidiosis, and is used to prevent coccidiosis in chickens, ducks, quails, turkeys, geese and rabbits.
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
関連反応
6 件
化合物ノート
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