- 中文别名：凯托米酮
- 中文释义：凯托米酮
- 英文别名：1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one;
Cymidon;
A 21 Lundbeck;
Cetobemidona;
Cetobemidone;
1-[4-(3-hydroxy-phenyl)-1-methyl-[4]piperidyl]-propan-1-one;
Cliradone;
Ketobemidon;
Ketorax;
Ketobemidone;
Cliradon;
1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidyl]-1-propanone;
1-[4-(3-Hydroxy-phenyl)-1-methyl-[4]piperidyl]-propan-1-on;
Cetobemidon;
Ciba 7115 - cas No.：469-79-4
- 分子式：
C15H21NO2
- 分子量：0
- 精确分子量：247.15700
- PSA：40.54000
- InChI：The Key: ALFGKMXHOUSVAD-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.092 g/cm3
- 沸点：
- 391.3ºC at 760 mmHg
- 闪点：
- 190.4ºC
- 折射率：
- 1.543
- 蒸汽压：
- 1.11E-06mmHg at 25°C
安全信息
- 密度：
- 1.092 g/cm3
- 沸点：
- 391.3ºC at 760 mmHg
- 闪点：
- 190.4ºC
- 折射率：
- 1.543
- 蒸汽压：
- 1.11E-06mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OB3200000
- CHEMICAL NAME :
- Ketone, ethyl 4-(m-hydroxyphenyl)-1-methylpiperidyl
- CAS REGISTRY NUMBER :
- 469-79-4
- BEILSTEIN REFERENCE NO. :
- 0218226
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C15-H21-N-O2
- MOLECULAR WEIGHT :
- 247.37
- WISWESSER LINE NOTATION :
- T6NTJ A1 BV2 DR CQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 7,196,1952
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 14 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCIEAS Science. (American Assoc. for the Advancement of Science, 1333 H St., NW, Washington, DC 20005) V.1- 1895- Volume(issue)/page/year: 104,587,1946
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:3
4.可旋转化学键数量:3
5.互变异构体数量:6
6.拓扑分子极性表面积:40.5
7.重原子数量:18
8.表面电荷:0
9.复杂度:295
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