羟可待酮
- 中文名称:
- 羟可待酮
- 中文别名:
- 羟可待酮;
羟考酮
- 英文名称:
- Morphinan-6-one,4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5a)-
- 英文别名:
- oxycodone;
Oxicone;
oxanest;
Dihydrone;
OXYCODONE;
Percodan;
endone;
percocet;
Oxicon;
14-hydroxy-dihydrocodeinone;
Morphinan-6-one,4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5a)-;
Oxycodon;
Eucodalum
- CAS No.:
- 76-42-6
- 分 子 式:
-
C18H21NO4
- 分 子 量:
- 315.36
- 精确分子量:
- 315.14700
- PSA:
- 59.00000
- EINECS:
- 200-960-2
- InChI:
- InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H33
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-
- SDS:
- 查看
羟可待酮 物化性质
- 密度:
- 1.39 g/cm3
- 沸点:
- 501.6ºC at 760 mmHg
- 闪点:
- 257.1ºC
- 折射率:
- 1.659
羟可待酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QD2450000
- CHEMICAL NAME :
- Morphinan-6-one,
4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-
- CAS REGISTRY NUMBER :
- 76-42-6
- BEILSTEIN REFERENCE NO. :
- 0043446
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C18-H21-N-O4
- MOLECULAR WEIGHT :
- 315.40
- WISWESSER LINE NOTATION :
- T B6566 B6/CO 4ABBC R BX FV HO PN GHT&&TTJ CQ JO1 P1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
3,261,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 426 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 28ZNAE "Public Health Reports, Supplement." (Washington, DC)
Volume(issue)/page/year: 138,27,1938
羟可待酮 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:5
4.可旋转化学键数量:1
5.互变异构体数量:3
6.拓扑分子极性表面积:59
7.重原子数量:23
8.表面电荷:0
9.复杂度:553
10.同位素原子数量:0
11.确定原子立构中心数量:4
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