4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-, (3aR,3bS,4R,4aR,7aS,8S,8aR,8bS)-rel-
- 中文别名：米丁度胺
- 中文释义：米丁度胺
- 英文别名：Mitindomide;
Benzenebismaleimide adduct;
tricyclo<4.2.2.02,5>dec-9-ene-3,4,7,8-tetracarboxylic acid diimide;
3a,3b,4,4a,7a,8,8b-octahydro-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7[2H,6H]tetrone
- CAS No.：10403-51-7
- 分子式：C14H12N2O4
- 分子量：0
- 精确分子量：272.08000
- PSA：92.34000
- InChI：The Key: DRCJGCOYHLTVNR-ZUIZSQJWSA-N
- 分子结构式：
物化性质
- 密度：
- 1.518g/cm3
- 沸点：
- 618.2ºC at 760mmHg
- 闪点：
- 270ºC
- 折射率：
- 1.627
- 蒸汽压：
- 3.26E-15mmHg at 25°C
安全信息
- 密度：
- 1.518g/cm3
- 沸点：
- 618.2ºC at 760mmHg
- 闪点：
- 270ºC
- 折射率：
- 1.627
- 蒸汽压：
- 3.26E-15mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YD2143000
- CAS REGISTRY NUMBER :
- 10403-51-7
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C14-H12-N2-O4
- MOLECULAR WEIGHT :
- 272.28
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 25,38,1991
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 25,38,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 193 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
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）:-1.4
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:0
5.互变异构体数量:13
6.拓扑分子极性表面积:92.3
7.重原子数量:20
8.表面电荷:0
9.复杂度:587
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:8
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
