520-09-2

• 常用中文名：多潘
• 常用英文名：2,4(1H,3H)-Pyrimidinedione,5-[bis(2-chloroethyl)amino]-6-methyl
• CAS号：520-09-2
• 分子式：C₉H₁₃Cl₂N₃O₂
• 分子量：266.12400
• 相关类别： 原料药 抗肿瘤药 烷化剂类抗肿瘤药
• 发布时间：2018-06-12 18:44:17
• 更新时间：2026-07-02 18:46:02

名称

• 中文名: 多潘
• 英文名: 5-[bis(2-chloroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
• 中文别名: 2,6-二羟基-4-甲基-5-[双(2-氯乙基)氨基]嘧啶; 甲基尿嘧啶氮芥; 甲尿嘧啶氮芥
• 英文别名: 5-DI(2-CHLOROETHYL)AMINO-6-METHYLURACIL; Dopan; Elderfield pyrimidine musturd; Chloroethylaminouracil Dopan; Dopane; 2,6-DIHYDROXY-4-METHYL-5-[BIS(2-CHLOROETHYL)AMINO]PYRIMIDINE; 2,6-DIHYDROXY-4-METHYL-5-[BIS(2-CHLOROETHYL)AMINO]PYRIMIDINE //BP; 2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-6-methyl; 5-[Bis(2-chloroethyl)amino]-6-methyl-2,4(1H,3H)-pyrimidinedione; Chloroethylaminouracil; Elderfield pyrimidine mustard; Chlorethylaminouracil; DOPAN; NSC-44629; Chloraethylaminouracil; Elderfield pyrimidine mustd; ENT-50698; CHLOROETHYLAMINOURACIL; 5-[bis(2-chloroethyl)amino]-6-methyl-uracil

物化性质

• 密度: 1.39g/cm3
• 分子式: C₉H₁₃Cl₂N₃O₂
• 分子量: 266.12400
• 精确质量: 265.03800
• PSA: 68.96000
• LogP: 0.65560
• 折射率: 1.564
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.9

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:5

  5.互变异构体数量:17

  6.拓扑分子极性表面积:61.4

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:325

  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 : YQ9000000 CHEMICAL NAME : Uracil, 5-(bis-(2-chloroethyl)amino)-6-methyl- CAS REGISTRY NUMBER : 520-09-2 LAST UPDATED : 199109 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C9-H13-Cl2-N3-O2 MOLECULAR WEIGHT : 266.15 WISWESSER LINE NOTATION : T6MVMVJ EN2G2G F1 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 : 2400 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3 mg/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Primate - monkey Kidney DOSE/DURATION : 100 mg/L REFERENCE : TSITAQ Tsitologiya. Cytology. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1959- Volume(issue)/page/year: 15,1505,1973

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