2-Oxazolidinone,5-(4-morpholinylmethyl)-3-[[2-(5-nitro-2-furanyl)-2-oxoethylidene]amino]-,hydrochloride (1:?)
- 中文别名：1H-吡唑-4-胺,N,N-二甲基-1-(2-甲基苯基)-
- 中文释义：1H-吡唑-4-胺,N,N-二甲基-1-(2-甲基苯基)-
- 英文别名：5-(morpholin-4-ylmethyl)-3-[(E)-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]amino]-1,3-oxazolidin-2-one,hydrochloride
- CAS No.：97158-93-5
- 分子式：C14H16N4O7.xClH
- 分子量：0
- 精确分子量：388.07900
- PSA：130.40000
- 分子结构式：
物化性质
- 沸点：
- 505.4ºC at 760 mmHg
- 闪点：
- 259.4ºC
安全信息
- 沸点：
- 505.4ºC at 760 mmHg
- 闪点：
- 259.4ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RQ3641500
- CHEMICAL NAME :
- 2-Oxazolidinone, 5-(morpholinomethyl)-3-(((5-nitro-2-furoyl)methylene) amino)-, hydrochloride
- CAS REGISTRY NUMBER :
- 97158-93-5
- LAST UPDATED :
- 198806
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C14-H16-N4-O7.xCl-H
- MOLECULAR WEIGHT :
- 607.56
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Behavioral - antipsychotic Lungs, Thorax, or Respiration - respiratory depression Kidney, Ureter, Bladder - other changes in urine composition
- REFERENCE :
- JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16,663,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 65 mg/kg
- TOXIC EFFECTS :
- Behavioral - antipsychotic Lungs, Thorax, or Respiration - respiratory depression Kidney, Ureter, Bladder - other changes in urine composition
- REFERENCE :
- JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 16,663,1964
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:1
3.氢键受体数量:9
4.可旋转化学键数量:5
5.互变异构体数量:无
6.拓扑分子极性表面积:130
7.重原子数量:26
8.表面电荷:0
9.复杂度:558
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:2
