- 中文别名：噁丙烯并[f]异喹啉(9CI)
- 中文释义：噁丙烯并[f]异喹啉(9CI);1-[3-(diethylamino)propylamino]-5-methyl-6H-pyrido[4,3-b]carbazol-9-ol
- 英文别名：1-[3-(diethylamino)propylamino]-5-methyl-6H-pyrido[4,3-b]carbazol-9-ol;
6H-Pyrido[4,3-b]carbazol-9-ol,1-[[3-(diethylamino)propyl]amino]-5-methyl- - cas No.：72238-04-1
- 分子式：C23H28N4O
- 分子量：0
- 精确分子量：376.22600
- PSA：64.18000
- InChI：The Key: JOTXWZGCPJPKOO-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.239g/cm3
- 沸点：
- 641.8ºC at 760 mmHg
- 闪点：
- 342ºC
- 折射率：
- 1.721
安全信息
- 密度：
- 1.239g/cm3
- 沸点：
- 641.8ºC at 760 mmHg
- 闪点：
- 342ºC
- 折射率：
- 1.721
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UU8885000
- CHEMICAL NAME :
- 6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5-methyl-
- CAS REGISTRY NUMBER :
- 72238-04-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C23-H28-N4-O
- MOLECULAR WEIGHT :
- 376.55
- WISWESSER LINE NOTATION :
- T D6 B656 FN LMJ EM3N2&2 J1 PQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1212,1980
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1212,1980
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）:5
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:7
5.互变异构体数量:102
6.拓扑分子极性表面积:64.2
7.重原子数量:28
8.表面电荷:0
9.复杂度:499
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:1