5588-20-5

• 常用中文名：氯登妥因
• 常用英文名：Chlordantoin
• CAS号：5588-20-5
• 分子式：C₁₁H₁₇Cl₃N₂O₂S
• 分子量：347.68900
• 相关类别： 信号通路 抗感染 真菌
• 发布时间：2018-10-03 22:50:35
• 更新时间：2024-01-14 12:16:29
• Chlordantoin 是一种抗真菌药物,可用于治疗阴道念珠菌病。

名称

• 中文名: 氯登妥因
• 英文名: 5-heptan-3-yl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
• 英文别名: Clodantoina [INN-Spanish]; Sporostacin; EINECS 226-995-3; Chlordantoin; Clodantoin; Clodantoinum [INN-Latin]; Clodantocidum; Clodantoine [INN-French]

物化性质

• 密度: 1.39g/cm3
• 分子式: C₁₁H₁₇Cl₃N₂O₂S
• 分子量: 347.68900
• 精确质量: 346.00800
• PSA: 74.71000
• LogP: 4.36580
• 折射率: 1.562
• 储存条件: 2-8℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.7

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:6

  5.互变异构体数量:4

  6.拓扑分子极性表面积:74.7

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:349

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:2

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: Chlordantoin 是一种抗真菌药物,可用于治疗阴道念珠菌病。
• 相关类别:
  信号通路 >> 抗感染 >> 真菌
  研究领域 >> 感染
• 靶点:

  Fungal[1]

• 参考文献:

  [1]. Morris DF, et al. Miconazole nitrate compared with chlordantoin in the treatment of vaginal candidiasis. Br J Vener Dis. 1975 Apr;51(2):123-4.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MU2400000 CHEMICAL NAME : Hydantoin, 5-(1-ethylpentyl)-3-((trichloromethyl)thio)- CAS REGISTRY NUMBER : 5588-20-5 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C11-H17-Cl3-N2-O2-S MOLECULAR WEIGHT : 347.71 WISWESSER LINE NOTATION : T5MVNVTJ CSXGGG EY4&2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >1165 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 11,73,1961 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 86 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 11,73,1961 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : >400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ANTCAO Antibiotics and Chemotherapy (Washington, DC). (Washington, DC) V.1-12, 1951-62. For publisher information, see CLMEA3. Volume(issue)/page/year: 11,73,1961