24279-91-2

• 常用中文名：卡波醌
• 常用英文名：carboquone
• CAS号：24279-91-2
• 分子式：C₁₅H₁₉N₃O₅
• 分子量：321.32800
• 相关类别： 原料药 抗肿瘤药 烷化剂类抗肿瘤药
• 发布时间：2018-03-14 08:00:00
• 更新时间：2024-01-20 12:28:34

名称

• 中文名: 卡波醌
• 英文名: [2-[2,5-bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] carbamate
• 中文别名: 咔巴醌; 顺铂USP24; 2,5-双(1-氮丙啶)-3-(1-甲氧基-2-氨基甲酰氧乙基)-6-甲基-1,4-苯醌
• 英文别名: Esquinon; Carbaziloquinone; Carbazilequinone; 2,5-bis-aziridin-1-yl-3-(2-carbamoyloxy-1-methoxy-ethyl)-6-methyl-[1,4]benzoquinone; carboquone; Carboquonum [INN-Latin]; Carboquona [INN-Spanish]; Carbazilquinone; Carboquone [INN:JAN]; 2,5-bis(1-aziridinyl)-3-(2-carbamoyloxy-1-methoxyethyl)-6-methyl-1,4-benzoquinone

物化性质

• 密度: 1.1990 (rough estimate)
• 沸点: 460.09°C (rough estimate)
• 熔点: 202° (dec)
• 分子式: C₁₅H₁₉N₃O₅
• 分子量: 321.32800
• 精确质量: 321.13200
• PSA: 101.71000
• 折射率: 1.5600 (estimate)
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:7

  4.可旋转化学键数量:7

  5.互变异构体数量:6

  6.拓扑分子极性表面积:102

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:644

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DK3400000 CHEMICAL NAME : p-Benzoquinone, 2,5-bis(1-aziridinyl)-3-(2-hydroxy-1-methoxyethyl)-6- methyl-, carbamate CAS REGISTRY NUMBER : 24279-91-2 BEILSTEIN REFERENCE NO. : 1400765 LAST UPDATED : 199806 DATA ITEMS CITED : 19 MOLECULAR FORMULA : C15-H19-N3-O5 MOLECULAR WEIGHT : 321.37 WISWESSER LINE NOTATION : T3NTJ A- BL6V DVJ C1 FYO1&1OVZ E- AT3NTJ 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 : 27300 ug/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3070 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 : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3990 ug/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3620 ug/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 28600 ug/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3440 ug/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4900 ug/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5430 ug/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 35 mg/kg/5W-C TOXIC EFFECTS : Liver - changes in liver weight Endocrine - changes in spleen weight Related to Chronic Data - changes in testicular weight TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 42 mg/kg/6W-C TOXIC EFFECTS : Endocrine - changes in spleen weight Endocrine - changes in thymus weight Related to Chronic Data - changes in testicular weight TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7 mg/kg/5W-C TOXIC EFFECTS : Endocrine - changes in spleen weight Endocrine - changes in thymus weight Related to Chronic Data - changes in uterine weight TYPE OF TEST : DNA damage MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 10 ug/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 44,3270,1984