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亚丝醌
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
- 上游产品
亚丝醌 基本信息
- 中文名称：
- 亚丝醌
- 中文别名：
- 亚丝醌;
地吖醌
- 英文名称：
- Carbamic acid,N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-,C,C'-diethyl ester
- 英文别名：
- ethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate;
AZQ;
2,5-di(aziridin-1-yl)-3,6-bis(carboethoxyamino)-1,4-benzoquinone;
3,6-bis<(ethylcarboxy)amino>-2,5-diaziridinyl-1,4-benzoquinone;
2,5-diaziridinyl-3,6-bis(carboethoxy-amino)-1,4-benzoquinone;
diaziquone;
CI-904;
Diaziquonum [INN-Latin];
Aziridinylquinone;
Aziridinylbenzoquinone
- CAS No.：
- 57998-68-2
- 分 子 式：
- C16H20N4O6
- 分 子 量：
- 364.40
- 精确分子量：
- 364.13800
- PSA：
- 116.82000
- InChI：
- The Key: WVYXNIXAMZOZFK-UHFFFAOYSA-N
- 风险术语：
- R40
- 安全术语：
- Poison by intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS.
- 分子结构式：
-
- SDS：
- 查看
亚丝醌 物化性质
- 密度：
- 1.45g/cm3
- 沸点：
- 469ºC at 760mmHg
- 闪点：
- 237.4ºC
- 折射率：
- 1.62
- 存储条件/存储方法：
- 通风低温干燥,与库房食品原料分开存放
亚丝醌 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EY8794000
- CHEMICAL NAME :
- Carbamic acid,
(2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadien-1,
4-diyl)bis-, diethyl ester
- CAS REGISTRY NUMBER :
- 57998-68-2
- BEILSTEIN REFERENCE NO. :
- 1333277
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 18
- MOLECULAR FORMULA :
- C16-H20-N4-O6
- MOLECULAR WEIGHT :
- 364.40
- WISWESSER LINE NOTATION :
- L6V DV AU DUTJ BMVO2 C- AT3NTJ& EMVO2 F- AT3NTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 11290 ug/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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 10300 ug/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Gastrointestinal - hypermotility, diarrhea
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1250 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1550 ug/kg/5D-I
- TOXIC EFFECTS :
- Behavioral - food intake (animal)
Blood - changes in bone marrow (not otherwise specified)
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 2400 ug/kg/33D-I
- TOXIC EFFECTS :
- Gastrointestinal - other changes
Blood - changes in bone marrow (not otherwise specified)
Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 6250 ug/kg/5D-I
- TOXIC EFFECTS :
- Gastrointestinal - other changes
Blood - changes in bone marrow (not otherwise specified)
Blood - changes in spleen
- TYPE OF TEST :
- Micronucleus test
- TYPE OF TEST :
- Sister chromatid exchange
- TYPE OF TEST :
- Sister chromatid exchange
MUTATION DATA
- TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 300 nmol/L
- REFERENCE :
- PAACA3 Proceedings of the American Association for Cancer Research. (Waverly
Press, 428 E. Preston St., Baltimore, MD 21202) V.1- 1954-
Volume(issue)/page/year: 24,322,1983
亚丝醌 分子结构与计算化学数据
计算化学数据
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:8
4.可旋转化学键数量:8
5.互变异构体数量:10
6.拓扑分子极性表面积:117
7.重原子数量:26
8.表面电荷:0
9.复杂度:671
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
