雷那诺龙
- 中文名称:
- 雷那诺龙
- 中文别名:
- 雷那诺龙
- 英文名称:
- Pregnane-11,20-dione,3-hydroxy-, (3a,5b)-
- 英文别名:
- (3R,5R,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;
11-Oxopregnanolone;
3alpha-Hydroxy-11,20-pregnadien;
3alpha-Hydroxy-5beta-pregnane-11,20-dione;
Renanolone;
11-Ketopregnanolone
- CAS No.:
- 565-99-1
- 分 子 式:
-
C21H32O3
- 分 子 量:
- 332.481
- 精确分子量:
- 332.23500
- PSA:
- 54.37000
- InChI:
- The Key: DUHUCHOQIDJXAT-YUUPMBNKSA-N3
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-

- SDS:
- 查看
雷那诺龙 物化性质
- 密度:
- 1.212g/cm3
- 沸点:
- 504ºC at 760mmHg
- 闪点:
- 272.7ºC
- 折射率:
- 1.562
雷那诺龙 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TU4157900
- CHEMICAL NAME :
- 5-beta-Pregnane-11,20-dione, 3-alpha-hydroxy-
- CAS REGISTRY NUMBER :
- 565-99-1
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H32-O3
- MOLECULAR WEIGHT :
- 332.53
- WISWESSER LINE NOTATION :
- L E5 B666 CVTJ A1 E1 FV1 OQ
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 :
- 68 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 11,117,1968
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
- 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: 11,117,1968
雷那诺龙 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):3.2
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:1
5.互变异构体数量:9
6.拓扑分子极性表面积:54.4
7.重原子数量:24
8.表面电荷:0
9.复杂度:569
10.同位素原子数量:0
11.确定原子立构中心数量:8
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