基本情報
- CAS
57808-65-8- 標準SMILES
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O- InChIKey
JMPFSEBWVLAJKM-UHFFFAOYSA-N- 分子式
- C22H14Cl2I2N2O2
- 平均分子量
- 663.1 g/mol
- 単同位体質量
- 661.85218
概要
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide is an aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively. It is a nitrile, a monocarboxylic acid amide, a member of phenols, an organoiodine compound, an aromatic amide and a member of monochlorobenzenes.
名称と識別子
- 優先名称
- Closantel
- IUPAC
- N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide
- 現地名
- クロサンテル
- 英語名
- Closantel
- 分子式
- C22H14Cl2I2N2O2
- 分子量
- 663.07
名称と別名
Closantel57808-65-8ClosantelumDTXSID6040662R 31,520NSC-335306EUL532EI54R-31520Benzamide, N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-2-methylphenyl)-2-hydroxy-3,5-diiodo-NSC335306R 31520N-(5-Chloro-4-((4-chlorophenyl)cyanomethyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamide
名称をさらに表示
N-[5-クロロ-4-[(4-クロロフェニル)シアノメチル]-2-メチルフェニル]-2-ヒドロキシ-3,5-ジヨードベンズアミドクロサンテルクロサンテール標準品クロサンテールクロサンテル標準品ZyclozDiantelClosantefaskovermKrosantai5-diiodo-y-iodobenzamide
DTXCID4020662Benzamide, N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-RefChem:577759N-(5-chloro-4((4-chlorophenyl)cyanomethyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamideCHEBI:77053260-967-1N-(5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamideClosantel base
データベース識別子
物性
構造計算による物性
- XLogP
- 7.2
- 極性表面積
- 73.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 652
実験および物理化学的性質
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
物理化学的性質
- 融点
- 217.8 ° · 217.8°
- 沸点
- 590.5 · 590.5±50.0 °C(Predicted)
- 比重(密度)
- 1.8759 · 1.8759 (estimate)
- 貯蔵温度
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 溶解性
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2)(1:5): 0.16 mg/ml
- 酸解離定数(Pka)
- 5.99 · 5.99±0.48(Predicted)
- 外見
- Solid
- 色
- White to off-white
- 主な用途
- 農業環境
- InChI
- 1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)
- InChIKey
- JMPFSEBWVLAJKM-UHFFFAOYSA-N
- SMILES
- Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O
- CAS データベース
- 57808 · 57808-65-8(CAS DataBase Reference)
化学的性質
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
Danger
H301 (94.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationClosantel: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzamide, N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodo-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (94.4%)
安全データ
- wgk
- 3
- rtecs
- CV2444250
- ridadr
- 2811
- 毒性
- A veterinary drug for the treatment of fluke and nematode infestations. In 1993, some was included in a batch of donated drugs sent to Lithuania. Attempts to match the product with the names of other medicines on accompanying literature resulted in its misidentification as a treatment for endometriosis. Eleven women lost their eyesight; though this has since returned, they were left with eye pain and are unable to work.
- risk_code
- 22
- 安衛法
- 57,57-2
- hazard_code
- Xn
- hazard_class
- 6.1(b)
- packing_group
- III
化学と産業
薬理情報
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological Classification
Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
用途と製造
Use Classification
Veterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes
応用分野
用途動物用医薬品定量用の標準品。
使用antianginal, antihypertensive
サプライヤー100 社
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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