60784-46-5

• 常用中文名：依莫司汀
• 常用英文名：elmustine
• CAS号：60784-46-5
• 分子式：C₅H₁₀ClN₃O₃
• 分子量：195.60400
• 相关类别： 原料药 抗肿瘤药 烷化剂类抗肿瘤药
• 发布时间：2018-09-28 12:06:27
• 更新时间：2024-01-01 18:21:49

名称

• 中文名: 依莫司汀
• 英文名: 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea
• 英文别名: Hydroxyethyl CNU; CNU-ethanol; 1-(2-hydroxyethyl)-3-(2-chloroethyl)-3-nitroso urea; N-(2-Hydroxyethyl)-N'-(2-chloroethyl)-N'-nitrosourea; N1-(2-hydroxyethyl)-N3-(2-chloroethyl)-N3-nitrosourea; Hecnu; Elmustine; Elmustine [INN]; Elmustinum [Latin]; Elmustina [Spanish]

物化性质

• 密度: 1.45g/cm3
• 熔点: 56°C
• 分子式: C₅H₁₀ClN₃O₃
• 分子量: 195.60400
• 精确质量: 195.04100
• PSA: 82.00000
• LogP: 0.30140
• 折射率: 1.549
• 储存条件: 库房低温通风干燥,与食品原料分开存放
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:4

  5.互变异构体数量:2

  6.拓扑分子极性表面积:82

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:155

  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:0

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YS4986000 CHEMICAL NAME : Urea, 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitroso- CAS REGISTRY NUMBER : 60784-46-5 LAST UPDATED : 199612 DATA ITEMS CITED : 15 MOLECULAR FORMULA : C5-H10-Cl-N3-O3 MOLECULAR WEIGHT : 195.63 WISWESSER LINE NOTATION : Q2MVNNO&2G HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 25300 ug/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - chronic pulmonary edema Gastrointestinal - ulceration or bleeding from stomach Blood - changes in bone marrow (not otherwise specified) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 25 mg/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 16 mg/kg/60W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 32 mg/kg/60W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Brain and Coverings - tumors Gastrointestinal - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 64 mg/kg/60W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 96 mg/kg/60W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors TYPE OF TEST : Sex chromosome loss and nondisjunction TYPE OF TEST : Sex chromosome loss and nondisjunction TYPE OF TEST : DNA damage MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Rodent - mouse Lung DOSE/DURATION : 1 mg/L/1H REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 44,87,1977

合成路线

113900-20-2 141-43-5 ~% 60784-46-5

文献：Barcelo, Gerard; Senet, Jean-Pierre; Sennyey, Gerard Synthesis, 1987 , # 11 p. 1027 - 1029

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