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氢羟吗啡酮
- 基本信息
- 物化性质
- 毒理性
- 结构与计算化学
- 上游产品
- 下游产品
氢羟吗啡酮 基本信息
- 中文名称:
- 氢羟吗啡酮
- 中文别名:
- 氢羟吗啡酮;
羟吗啡酮
- 英文名称:
- Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-methyl-, (5a)-
- 英文别名:
- (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;
(-)-oxycodone;
(-)-Oxymorphone;
14-Hydroxydihydromorphinone;
Numorphan;
Oximorphonum;
Dihydroxymorphinone;
Dihydrohydroxymorphinone;
Oxymorphine;
N-methylnaltrexone;
Opana
- CAS No.:
- 76-41-5
- 分 子 式:
-
C17H19NO4
- 分 子 量:
- 301.34
- 精确分子量:
- 301.13100
- PSA:
- 70.00000
- InChI:
- The Key: UQCNKQCJZOAFTQ-DOVKQSIHSA-N
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-
- SDS:
- 查看
氢羟吗啡酮 物化性质
- 外观与性状:
- 结晶固体
- 密度:
- 1.503 g/cm3
- 熔点:
- 248-249ºC (dec)
- 沸点:
- 518.627ºC at 760 mmHg
- 闪点:
- 267.456ºC
- 折射率:
- 1.71
氢羟吗啡酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QD2181000
- CHEMICAL NAME :
- Morphinan-6-one,
3,14-dihydroxy-4,5-alpha-epoxy-17-methyl-
- CAS REGISTRY NUMBER :
- 76-41-5
- BEILSTEIN REFERENCE NO. :
- 0041588
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C17-H19-N-O4
- MOLECULAR WEIGHT :
- 301.37
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 :
- 200 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 :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 172 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15
Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881-
Volume(issue)/page/year: 84,280,1964
氢羟吗啡酮 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:2
3.氢键受体数量:5
4.可旋转化学键数量:0
5.互变异构体数量:6
6.拓扑分子极性表面积:70
7.重原子数量:22
8.表面电荷:0
9.复杂度:539
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