4H-Indol-4-one,3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-
- 中文别名：吗吲酮
- 中文释义：吗茚酮;3-乙基-2-甲基-5-(吗啉-4-基甲基)-1,5,6,7-四氢吲哚-4-酮;吗吲酮
- 英文别名：3-Ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one;
MOLINDONE;
3-ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one;
molidone hydrochloride;
EN-1733A
- CAS No.：7416-34-4
- 分子式：C16H24N2O2
- 分子量：276.37
- 精确分子量：276.18400
- PSA：45.33000
- InChI：InChI=1/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
- 分子结构式：
物化性质
- 外观与性状：
- 灰白色固体
- 密度：
- 1.14 g/cm3
- 熔点：
- 180 - 181ºC
- 沸点：
- 462.9ºC at 760 mmHg
- 闪点：
- 233.7ºC
- 折射率：
- 1.559
安全信息
- 外观与性状：
- 灰白色固体
- 密度：
- 1.14 g/cm3
- 熔点：
- 180 - 181ºC
- 沸点：
- 462.9ºC at 760 mmHg
- 闪点：
- 233.7ºC
- 折射率：
- 1.559
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NM3300000
- CHEMICAL NAME :
- Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)-
- CAS REGISTRY NUMBER :
- 7416-34-4
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C16-H24-N2-O2
- MOLECULAR WEIGHT :
- 276.42
- WISWESSER LINE NOTATION :
- T56 BM FV&TJ C1 D2 G1- AT6N DOTJ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 714 ug/kg/D
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - antipsychotic
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,402,1969
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 4285 ug/kg/3D-I
- TOXIC EFFECTS :
- Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
- REFERENCE :
- JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press, Inc., POB 240008, Memphis, TN 38124) V.39- 1978- Volume(issue)/page/year: 47,607,1986
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）:1.7
2.氢键供体数量:1
3.氢键受体数量:3
4.可旋转化学键数量:3
5.互变异构体数量:5
6.拓扑分子极性表面积:45.3
7.重原子数量:20
8.表面电荷:0
9.复杂度:354
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:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
