4-amino-6-(trichloroethenyl)benzene-1,3-disulfonamide

• ChemBase编号: 73230
• 分子式: C8H8Cl3N3O4S2
• 平均质量: 380.65582
• 单一同位素质量: 378.90218079
• SMILES: c1(c(cc(c(c1)N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl
• Canonical SMILES: ClC(=C(c1cc(N)c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl)Cl
• InChI: InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
• InChIKey: QOVTVIYTBRHADL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-6-(trichloroethenyl)benzene-1,3-disulfonamide
• IUPAC传统名: clorsulon
• 别名: 4-氨基-6-(三氯乙烯基)-1,3-苯二磺酰胺; 氯舒隆; Clorsulon; 4-Amino-6-(trichlorovinyl)-1,3-benzenedisulfonamide; Clorsulon; 4-Amino-6-(1,2,2-trichloroethenyl)-1,3-benzenedisulfonamide; 4-Amino-6-(trichloroethenyl)-1,3-benzenedisulfonamide; Curatrem; L 631529; MK 401

登记号

• CAS号: 60200-06-8
• EC号: 262-100-2
• MDL号: MFCD00072006
• PubChem SID: 24860671; 162038150
• PubChem CID: 43231

理论计算性质

• Acid pKa: 9.608684
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 0.0014448083
• LogD (pH = 7.4): -8.9938194E-4
• Log P: 0.0014749547
• 摩尔折射率: 89.8763 cm^3
• 极化性: 31.498446 Å^3
• 极化表面积: 146.34 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: Crystalline Solid
• 熔点: 194-203°C

安全信息

• 保存条件: -20°C
• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 级别: VETRANAL™, analytical standard
• 成盐信息: Free Base
• Empirical Formula (Hill Notation): C8H8Cl3N3O4S2

详细说明

Selleck Chemicals - S2613

Research Area: Metabolic Disease
Biological Activity:
Clorsulon is a competitive 8-phosphoglycerate kinase and phospho-glyceromutase inhibitor. Clorsulon is used as a potent internal and external parasites inhibitor. Clorsulon is an antihelminthic compound. [1] Clorsulon is agent belonging to the benzenesulphonamide family which is recommended for the treatment and control of adult liver flukes in cattle as suspension for oral use or injectable formulations for subcutaneous administrations. Clorsulon inhibits the enzymes involved in the glycolytic pathway, the primary source of energy in flukes. Clorsulon also depresses ATP levels in the fluke. The acute toxicity of clorsulon is tested after oral and intraperitoneal administration in mice and rats. The oral LD50 value is higher than 10g/kg body weight in both species while those obtained after intraperitoneal administrations ranged between 678 to 938 mg/kg body weight.References on Clorsulon[1] J Egypt Soc Parasitol., 2007, 37(1):171-88

Sigma Aldrich - 33973

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - C587380

A benzenedisulfonamide derivative with fasciolicidal activity. Anthelmintic (Trematodes).

参考文献

• Mossallam SF, et al. J Egypt Soc Parasitol. 2007;37(1):171-88.
• Mrozik, H., et al.: J. Med. Chem., 20, 1225 (1977)
• Ostlind, D.A., et al.: Br. Vet. J., 133, 211 (1977)
• Schulman, M.D., et al.: J. Parasitol., 65, 555 (1977)