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右羟吗喃
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
- 下游产品
右羟吗喃 基本信息
- 中文名称：
- 右羟吗喃
- 中文别名：
- 右羟吗喃;
右啡烷;
右美沙芬杂质B
- 英文名称：
- Morphinan-3-ol,17-methyl-, (9a,13a,14a)-
- 英文别名：
- dextrorphan;
(+)-N-Methylmorphinan-3-ol;
O-Demethyl dextromethorphan;
d-Form of levorphanol;
Dextro-Dromoran;
D-3-hydroxy-N-methylmorphinan;
Racemorphan;
DEXTRORPHAN D-TARTRATE;
(+)-3-hydroxy-N-methylmorphinan;
Dextrorphane;
d-Levorphanol
- CAS No.：
- 125-73-5
- 分 子 式：
-
C17H23NO
- 分 子 量：
- 407.46
- 精确分子量：
- 407.19400
- PSA：
- 138.53000
- MDL：
- MFCD00864199
- EINECS：
- 204-754-3
- InChI：
- The Key: JAQUASYNZVUNQP-PVAVHDDUSA-N
- 危险品标志：
-
Xn
- 风险术语：
-
R22
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
右羟吗喃 物化性质
- 密度：
- 1.17g/cm3
- 熔点：
- ≥195ºC
- 沸点：
- 410.4ºC at 760mmHg
- 闪点：
- 207.2ºC
- 折射率：
- 1.621
- 蒸汽压：
- 0mmHg at 25°C
- 其它信息：
1.性状：白色类白色结晶。
2.熔点（℃）：≥195 。
右羟吗喃 安全信息
- 危险类别码：
- 22
- 危险标志：
- Xn: Harmful;
右羟吗喃 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- QD1832000
- CHEMICAL NAME :
- 9-alpha,13-alpha,14-alpha-Morphinan-3-ol, 17-methyl-
- CAS REGISTRY NUMBER :
- 125-73-5
- BEILSTEIN REFERENCE NO. :
- 0088093
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C17-H23-N-O
- MOLECULAR WEIGHT :
- 257.41
- WISWESSER LINE NOTATION :
- T6 G666/FQ 2AF Q FX ONT&TTJ IQ O1 -(+)
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 584 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation
Behavioral - ataxia
Skin and Appendages - hair
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 45,1188,1995
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of
National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa,
Ont., Canada)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 21 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - dyspnea
Musculoskeletal - other changes
Skin and Appendages - hair
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 45,1188,1995
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 276 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution
Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1-
1936- Volume(issue)/page/year: 22,1370,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 131 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution
Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1-
1936- Volume(issue)/page/year: 22,1370,1957
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 65 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of
National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa,
Ont., Canada)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 28 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of
National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa,
Ont., Canada)
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 25750 ug/kg
- SEX/DURATION :
- female 5-12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
gain)
Reproductive - Effects on Newborn - other postnatal measures or effects
- 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: 200,255,1977
右羟吗喃 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:5
3.氢键受体数量:8
4.可旋转化学键数量:3
5.互变异构体数量:3
6.拓扑分子极性表面积139
7.重原子数量:29
8.表面电荷:0
9.复杂度:491
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:5
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:2
Xn