2,4,6,8-Nonatetraenamide,N-ethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (2E,4E,6E,8E)-
- 中文别名：毛替垂尼
- 中文释义：毛替垂尼;莫维A胺
- 英文别名：MOTRETINIDE;
N-ethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenamide;
Tasmaderm;
9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-oic acid ethylamide;
(2E,4E,6E,8E)-N-Ethyl-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetrenamide;
9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-nona-2,4,6,8-tetraensaeure-(N-ethyl)amid
- CAS No.：56281-36-8
- 分子式：C23H31NO2
- 分子量：353.49774
- 精确分子量：353.23500
- PSA：38.33000
- InChI：The Key: IYIYMCASGKQOCZ-DJRRULDNSA-N
- 分子结构式：
物化性质
- 密度：
- 0.996g/cm3
- 沸点：
- 560.3ºC at 760mmHg
- 闪点：
- 292.7ºC
- 折射率：
- 1.55
安全信息
- 密度：
- 0.996g/cm3
- 沸点：
- 560.3ºC at 760mmHg
- 闪点：
- 292.7ºC
- 折射率：
- 1.55
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RA8439000
- CHEMICAL NAME :
- 2,4,6,8-Nonatetraenamide, 3,7-dimethyl-N-ethyl-9-(4-methoxy-2,3,6-trimethylphen yl)-, (all-E)-
- CAS REGISTRY NUMBER :
- 56281-36-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C23-H31-N-O2
- MOLECULAR WEIGHT :
- 353.55
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2478 mg/kg/2W-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 17,331,1982 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 350 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 95,122,1988
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）:6.2
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:7
5.互变异构体数量:2
6.拓扑分子极性表面积:38.3
7.重原子数量:26
8.表面电荷:0
9.复杂度:571
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:4
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
