기본 정보
- CAS
57808-65-8- 표준 SMILES
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O- InChIKey
JMPFSEBWVLAJKM-UHFFFAOYSA-N- 분자식
- C22H14Cl2I2N2O2
- 평균 분자량
- 663.1 g/mol
- 단동위원소 질량
- 661.85218
개요
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.
이름 및 식별자
- 우선 이름
- Closantel
- IUPAC
- N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-3,5-diiodobenzamide
- 영어명
- Closantel
- 분자식
- C22H14Cl2I2N2O2
- 분자량
- 663.07
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
57808-65-8- PubChem CID
- 42574
- DTXSID
DTXSID6040662- ChEMBL
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 73.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 652
실험 및 물리화학적 성질
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
물리화학적 성질
- 녹는점
- 217.8 ° · 217.8°
- 끓는 점
- 590.5 · 590.5±50.0 °C(Predicted)
- 밀도
- 1.8759 · 1.8759 (estimate)
- 저장 조건
- 2 · Keep in dark place,Sealed in dry,2-8°C
- 용해도
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2)(1:5): 0.16 mg/ml
- 산도 계수 (pKa)
- 5.99 · 5.99±0.48(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- 주요 응용
- 농업환경
- 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
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
안전 데이터
- wgk
- 3
- rtecs
- CV2444250
- ridadr
- 2811
- 독성
- 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
- hazard_code
- Xn
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4
화학 및 산업
약리 정보
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.
용도 및 제조
Use Classification
Veterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes
응용 분야
용도antianginal, antihypertensive
공급사100 곳
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]
Hong Kong Tiansheng New Material Trading Co., Ltd
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