基本情報
- CAS
69004-03-1- 標準SMILES
Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1- InChIKey
OCINXEZVIIVXFU-UHFFFAOYSA-N- 分子式
- C18H14F3N3O4S
- 平均分子量
- 425.4 g/mol
- 単同位体質量
- 425.0657116
概要
1-methyl-3-[3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione is an aromatic ether.
名称と識別子
- 優先名称
- Toltrazuril
- IUPAC
- 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
- 現地名
- トルツラズリル標準品
- 英語名
- Toltrazuril
- 分子式
- C18H14F3N3O4S
- 分子量
- 425.38
名称と別名
Toltrazuril69004-03-1ToltrazuriloToltrazurilumbay vi 9142BAY i 9142QVZ3IAR3JSBAY-VI-9142DTXSID90219063NSC-759176PROCOX COMPONENT TOLTRAZURIL1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-
名称をさらに表示
トルツラズリル標準品トルトラズリルトルトラズリル標準品1-メチル-3-[3-メチル-4-[4-[(トリフルオロメチル)チオ]フェノキシ]フェニル]-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオン1-メチル-3-(3-メチル-4-{4-[(トリフルオロメチル)スルファニル]フェノキシ}フェニル)-1,3,5-トリアジナン-2,4,6-トリオン1-[3-メチル-4-[4-(トリフルオロメチルチオ)フェノキシ]フェニル]-3-メチル-1,3,5-トリアジン-2,4,6(1H,3H,5H)-トリオンMARIGOLD OLEORESINToltrazuilToltrazuri1-methyl-3-[3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione1-METHYL-3-[3-METHYL-4-[4-(TRIFLUOROMETHYLTHIO)PHENOXY]PHENYL]-1,3,5-TRIAZINE-2,4,6(1H,3H,5H)-TRIONEBaycox, 1-Methyl-3-{3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 104 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 655
実験および物理化学的性質
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Collision Cross Section207.08 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 194 · 194-196°C
- 比重(密度)
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 1 mg/ml、DMSO · トルトラズリルは、エタノール、DMSO、ジメチルホルムアミド (DMF) などの有機溶媒に可溶であり、不活性ガスを使用して精製する必要があります。トルトラズリルのエタノールへの溶解度は約 1 mg/ml、DMSO および DMF への溶解度は約 25 mg/ml です。
- 酸解離定数(Pka)
- 6.47 · 6.47±0.20(Predicted)
- 外見
- Solid
- 色
- White to off-white
- 主な用途
- 法医学と毒物学医薬品（低分子化合物）
- InChI
- InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
- InChIKey
- OCINXEZVIIVXFU-UHFFFAOYSA-N
- SMILES
- N1(C)C(=O)NC(=O)N(C2=CC=C(OC3=CC=C(SC(F)(F)F)C=C3)C(C)=C2)C1=O
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
Warning
H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 112 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationToltrazuril: 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 CategoriesAcute Tox. 4 (24.1%)
安全データ
- wgk
- 2
- ridadr
- UN 3077
- hs_code
- 29336990
- risk_code
- 50/53-36/37/38
- hazard_code
- N,Xi
- safety_code
- 60-61-37/39-26
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationAgents useful in the treatment or prevention of COCCIDIOSIS in man or animals.
応用分野
説明Toltrazuril (Baycox®,Procox®) is a triazinon drug thathas broad-spectrum anticoccidial and antiprotozoalactivity. It is not commercially available in the UnitedStates, but it is available in other countries. It is activeagainst both asexual and sexual stages of coccidia byinhibiting nuclear division of schizonts and microga-monts and the wall-forming bodies of macrogamonts. Itmay also be useful in the treatment of neonatal porcinecoccidiosis, EPM, and canine hepatozoonosis. Toltrazuril and its major metabolite ponazuril (toltrazuril sulfone, Marquis) are triazine-based antiprotozoal drugs that have specific activity against apicomplexan coccidial infections. Toltrazuril is not available within the United States.
使用Toltrazuril is an antiprotozoal agent that is widely used to prevent coccidia parasite infection in veterinary applications. The effectiveness of treatment appears to depend on the coccidian species, development stage of the parasite, and level of infection.
使用Labelled analog of a triazinetrione anticoccidial. Coccidiostat. Toltrazuril is found to be highly effective against coccidia and is used in controlling coccidiosis. It is acting against all intracellular development stages of coccidia of the merogony (asexual multiplication) and gamogony (sexual phase). All stages are destroyed, thus the mode of action is coccidiocidal.
上流・下流製品情報
上流原料
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