阿考达唑
- 中文名称：
- 阿考达唑
- 中文别名：
- 阿考达唑
- 英文名称：
- Acetamide,N-methyl-N-[4-[(7-methyl-1H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]-,hydrochloride (1:1)
- 英文别名：
- N-methyl-N-[4-[(7-methyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]acetamide,hydrochloride;
N-Methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)acetamide HCl;
Acodazole HCl;
Acodazole hydrochloride (USAN);
Acetamide,N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)-,monohydrochloride;
ACODAZOLE HYDROCHLORIDE
- CAS No.：
- 55435-65-9
- 分 子 式：
-
C20H19N5O.ClH
- 分 子 量：
- 0
- 精确分子量：
- 381.13600
- PSA：
- 73.91000
- 分子结构式：
-
- SDS：
- 查看
阿考达唑 物化性质
- 沸点：
- 628ºC at 760 mmHg
- 闪点：
- 333.6ºC
阿考达唑 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AC6148500
- CHEMICAL NAME :
- Acetamide,
N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-
yl)amino)phenyl)-, monohydrochloride
- CAS REGISTRY NUMBER :
- 55435-65-9
- LAST UPDATED :
- 198910
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C20-H19-N5-O.Cl-H
- MOLECULAR WEIGHT :
- 381.90
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 24300 ug/kg/4W-I
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
47,3895,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 161 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
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 87590 ug/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
阿考达唑 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:3
3.氢键受体数量:4
4.可旋转化学键数量:3
5.互变异构体数量:40
6.拓扑分子极性表面积:73.9
7.重原子数量:27
8.表面电荷:0
9.复杂度:506
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:2
