9,10-Anthracenedione,1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]-
- 中文别名：米托蒽醌
- 中文释义：米托蒽醌;1,4-二羟基-5,8-双[[2-[(2-羟乙基)氨基]乙基]氨基]-9,10-蒽醌;米拖蒽醌
- 英文别名：mitoxantrone;
1,4-bis-[2-(2-hydroxyethylamino)ethylamino]-5,8-dihydroxy-9,10-anthracenedione;
MITOXANTRONUM AND THE INTERMEDIATES;
mitoxanthrone;
dihydroxyanthraquinone;
PharmasubstanceEP4;
MITOXANTRONUM;
1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-dihydroxyanthraquinone;
Mitoxantrone;
[3H]-Mitoxantrone;
1,4-dehydroxy-5,8-bis[[[2-(2-hydroxyethyl)amino]ethyl]amino]-9,19-antracenedion;
1,4-dihydroxy-5,8-bis[[2-(2-hydroxy-ethylamino)ethyl]amino]anthraquinone
- CAS No.：65271-80-9
- 分子式：C22H28N4O6
- 分子量：444.48
- 精确分子量：444.20100
- PSA：163.18000
- InChI：InChI=1/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
- 分子结构式：
物化性质
- 外观与性状：
- 蓝色粉末
- 密度：
- 1.45 g/cm3
- 熔点：
- 170-174ºC
- 沸点：
- 805.7ºC at 760 mmHg
- 闪点：
- 441.1ºC
- 折射率：
- 1.709
安全信息
- 外观与性状：
- 蓝色粉末
- 密度：
- 1.45 g/cm3
- 熔点：
- 170-174ºC
- 沸点：
- 805.7ºC at 760 mmHg
- 闪点：
- 441.1ºC
- 折射率：
- 1.709
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CB5748500
- CHEMICAL NAME :
- Anthraquinone, 5,8-bis((2-((2-hydroxyethyl)amino)ethyl)amino)-1,4-di hydroxy-
- CAS REGISTRY NUMBER :
- 65271-80-9
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 22
- MOLECULAR FORMULA :
- C22-H28-N4-O6
- MOLECULAR WEIGHT :
- 444.54
- WISWESSER LINE NOTATION :
- L C666 BV IVJ DQ GQ KM2M2Q NM2M2Q
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 :
- 7100 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 20910 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 :
- 6600 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 :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 86500 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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16 mg/kg/6W-I
- TOXIC EFFECTS :
- Cardiac - EKG changes not diagnostic of specified effects Liver - other changes Blood - changes in leukocyte (WBC) count
- TYPE OF TEST :
- Specific locus test
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- DNA damage
MUTATION DATA
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 100 ng/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: 26,217,1985
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）:1
2.氢键供体数量:8
3.氢键受体数量:10
4.可旋转化学键数量:12
5.互变异构体数量:95
6.拓扑分子极性表面积:163
7.重原子数量:32
8.表面电荷:0
9.复杂度:571
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
