异丙佐罗
- 中文名称:
- 异丙佐罗
- 中文别名:
- 异丙佐罗
- 英文名称:
- Iprazochrome
- 英文别名:
- [(Z)-(3-hydroxy-6-oxo-1-propan-2-yl-2,3-dihydroindol-5-ylidene)amino]urea;
Novochrome;
Isopropylnoradrenochrome monosemicarbazone;
Isopropylnoradenochrome monosemicarbazone;
Iprazochrome;
Divascan
- CAS No.:
- 7248-21-7
- 分 子 式:
-
C12H16N4O3
- 分 子 量:
- 264.28
- 精确分子量:
- 264.12200
- PSA:
- 108.02000
- InChI:
- The Key: XZKVIDLLLOUTSS-UHFFFAOYSA-N3
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-

- SDS:
- 查看
异丙佐罗 物化性质
- 密度:
- 1.5g/cm3
- 折射率:
- 1.685
异丙佐罗 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MV1618500
- CHEMICAL NAME :
- Hydrazinecarboxamide,
2-(3-hydroxy-1-(1-methylethyl)-6-oxo-1,2,3,6-tetrahyd
ro-5H-indol-5- ylidene)-
- CAS REGISTRY NUMBER :
- 7248-21-7
- LAST UPDATED :
- 199603
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C12-H16-N4-O3
- MOLECULAR WEIGHT :
- 264.32
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 :
- 10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPXXDW European Patent Application. (U.S. Patent and Trademark Office,
Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0115331
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 350 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPXXDW European Patent Application. (U.S. Patent and Trademark Office,
Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0115331
异丙佐罗 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):-0.8
2.氢键供体数量:3
3.氢键受体数量:5
4.可旋转化学键数量:2
5.互变异构体数量:11
6.拓扑分子极性表面积:108
7.重原子数量:19
8.表面电荷:0
9.复杂度:519
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:1