1,2,4-Triazolidine-3,5-dione,1,2,4-tris(2-oxiranylmethyl)-
- 中文别名：阿那昔酮
- 中文释义：阿那昔酮
- 英文别名：1,2,4-tris(oxiran-2-ylmethyl)-1,2,4-triazolidine-3,5-dione;
EINECS 278-745-8;
Anaxirone;
Anaxirona [Spanish];
Anaxironum [Latin];
Triglycidylurazole;
1,2,4-Triglycidyl urazol
- CAS No.：77658-97-0
- 分子式：
C11H15N3O5
- 分子量：0
- 精确分子量：269.10100
- PSA：86.52000
- 分子结构式：
物化性质
- 密度：
- 1.596g/cm3
- 沸点：
- 405.8ºC at 760 mmHg
- 闪点：
- 199.2ºC
- 折射率：
- 1.639
安全信息
- 密度：
- 1.596g/cm3
- 沸点：
- 405.8ºC at 760 mmHg
- 闪点：
- 199.2ºC
- 折射率：
- 1.639
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XZ5437000
- CHEMICAL NAME :
- 1,2,4-Triazolidine-3,5-dione, 1,2,4-tris(oxiranylmethyl)-
- CAS REGISTRY NUMBER :
- 77658-97-0
- LAST UPDATED :
- 199703
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C11-H15-N3-O5
- MOLECULAR WEIGHT :
- 269.29
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 :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,209,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJCODS European Journal of Cancer and Clinical Oncology. (Pergamon Press, c/o Elsevier Science, 660 White Plains Rd., Tarrytown, NY 10591) V.17(7)- 25, 1981-89. For publisher information, see EJCAEL Volume(issue)/page/year: 20,1187,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/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: 27,67,1993
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 70 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,209,1984
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 60 mg/kg
- TOXIC EFFECTS :
- Blood - hemorrhage
- REFERENCE :
- CCPHDZ Cancer Chemotherapy and Pharmacology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1978- Volume(issue)/page/year: 27,361,1991 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 75 mg/kg/3D-I
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea Blood - thrombocytopenia Related to Chronic Data - death
- REFERENCE :
- CCPHDZ Cancer Chemotherapy and Pharmacology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1978- Volume(issue)/page/year: 27,361,1991
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:0
3.氢键受体数量:5
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积:81.4
7.重原子数量:19
8.表面电荷:0
9.复杂度:399
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:3
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
