21738-42-1

• 常用中文名：硝羟四氢喹啉胺
• 常用英文名：Oxamniquine
• CAS号：21738-42-1
• 分子式：C₁₄H₂₁N₃O₃
• 分子量：279.33500
• 相关类别： 原料药 抗寄生虫病药 抗吸虫病药
• 发布时间：2018-02-11 08:00:00
• 更新时间：2024-01-11 18:42:51
• Oxamniquine 是一种有效的抗血吸虫病试剂。

名称

• 中文名: 硝羟四氢喹啉胺
• 英文名: {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol
• 中文别名: 羟氨喹
• 英文别名: Oxamniquina; Mansil; oxamniquine; [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol; UK-4271; dl-6-hydroxymethyl-2-isopropylaminomethyl-7-nitro-1,2,3,4-tetrahydroquinoline; Oxamniquinum; Vansil; Oxaminiquine

物化性质

• 密度: 1.174g/cm3
• 沸点: 443.6ºC at 760mmHg
• 熔点: 147-149ºC
• 分子式: C₁₄H₂₁N₃O₃
• 分子量: 279.33500
• 闪点: 222.1ºC
• 精确质量: 279.15800
• PSA: 90.11000
• LogP: 2.86390
• 蒸汽压: 1.19E-08mmHg at 25°C
• 折射率: 1.56
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:5

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:90.1

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:332

  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:1

  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: Oxamniquine 是一种有效的抗血吸虫病试剂。
• 相关类别:
  研究领域 >> 感染
• 靶点:

  Parasite[1]

• 体外研究: Oxamniquine是治疗血吸虫病的有效药物[1]。
• 体内研究: 与对照组相比,单独使用奥沙姆尼奎因(500 mg/kg)或奥沙姆尼奎因(250 mg/kg)与吡喹酮合用可降低感染蜗牛的死亡率[1]。
• 参考文献:

  [1]. Mattos AC, et al. Evaluation of the effect of oxamniquine, praziquantel and a combination of both drugs on the intramolluscan phase of Schistosoma mansoni. Acta Trop. 2007 May;102(2):84-91.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : VC0340000 CHEMICAL NAME : 6-Quinolinemethanol, 1,2,3,4-tetrahydro-2-((isopropylamino)methyl)-7-nitro - CAS REGISTRY NUMBER : 21738-42-1 BEILSTEIN REFERENCE NO. : 0485597 LAST UPDATED : 199612 DATA ITEMS CITED : 21 MOLECULAR FORMULA : C14-H21-N3-O3 MOLECULAR WEIGHT : 279.38 WISWESSER LINE NOTATION : T66 BMT&J C1MY1&1 H1Q INW 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 : 30 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Liver - fatty liver degeneration TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 20 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Liver - fatty liver degeneration TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 60 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Liver - fatty liver degeneration TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 650 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : 950 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 1 umol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 157,1,1985

安全

• 海关编码: 2933499090

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%