- 中文别名:地素马啡
- 中文释义:地素吗啡;二氢脱氧吗啡 去羟饱吗啡
- 英文别名:(4R,4aR,7aS,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol;
dihydro-deoxymorphine-D;
dihydro-6-deoxy-morphine;
Permonid;
Desomorphine;
Dihydrodeoxymorphine;
Dihydrodesoxymorphine-D;
Morphine,6-deoxy-7,8-dihydro;
EINECS 207-045-7;
DEA No. 9055 - cas No.:427-00-9
- 分子式:
C17H21NO2
- 分子量:271.358
- 精确分子量:271.15700
- PSA:32.70000
- InChI:The Key: LNNWVNGFPYWNQE-GMIGKAJZSA-N
- 分子结构式:
物化性质
- 密度:
- 1.31g/cm3
- 沸点:
- 426.1ºC at 760mmHg
- 闪点:
- 211.5ºC
- 折射率:
- 1.664
- 蒸汽压:
- 7.3E-08mmHg at 25°C
安全信息
- 密度:
- 1.31g/cm3
- 沸点:
- 426.1ºC at 760mmHg
- 闪点:
- 211.5ºC
- 折射率:
- 1.664
- 蒸汽压:
- 7.3E-08mmHg at 25°C
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QD1730000
- CHEMICAL NAME :
- Morphinan-3-ol, 4,5-alpha-epoxy-17-methyl-
- CAS REGISTRY NUMBER :
- 427-00-9
- LAST UPDATED :
- 199009
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C17-H21-N-O2
- MOLECULAR WEIGHT :
- 271.39
- WISWESSER LINE NOTATION :
- T B6566 B6/CO 4ABBC R BX HO PN GHT&&TTJ JQ P1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 104 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 55,257,1935
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 27 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - local anesthetic Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression
- 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: 84,268,1964
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):2.8
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:0
5.互变异构体数量:2
6.拓扑分子极性表面积:32.7
7.重原子数量:20
8.表面电荷:0
9.复杂度:427
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