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METHYPRYLON
- 基本信息
- 物化性质
- 毒理性
- 结构与计算化学
- 上游产品
METHYPRYLON 基本信息
- 中文名称：
- METHYPRYLON
- 中文别名：
- 甲乙哌啶酮;
甲双乙酮 甲乙哌酮 甲哌啶酮 甲普龙
- 英文名称：
- 2,4-Piperidinedione,3,3-diethyl-5-methyl-
- 英文别名：
- 3,3-diethyl-5-methylpiperidine-2,4-dione;
3,3-Diaethyl-5-methyl-piperidin-2,4-dion;
Metiprilone;
Methyprylone;
Noctan;
Methyprylonum;
3,3-diethyl-5-methyl-piperidine-2,4-dione;
Methyprolon;
Metiprilona;
Metiprilon;
Noludar;
methyprylon;
Dimerin
- CAS No.：
- 125-64-4
- 分 子 式：
- C10H17NO2
- 分 子 量：
- 183.28
- 精确分子量：
- 183.12600
- PSA：
- 46.17000
- InChI：
- The Key: SIDLZWOQUZRBRU-UHFFFAOYSA-N
- 危险品标志：
- Abuse may cause addiction.
- 安全术语：
- Poison by ingestion, subcutaneous, and intravenous routes. Moderately toxic by intraperitoneal routes. Human systemic effects by ingestion: general anesthesia, sleep disorder, motor activity and pulmonary changes. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式：
-
- SDS：
- 查看
METHYPRYLON 物化性质
- 密度：
- 0.969g/cm3
- 沸点：
- 339.9ºC at 760mmHg
- 折射率：
- 1.441
- 蒸汽压：
- 8.93E-05mmHg at 25°C
METHYPRYLON 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TM7350000
- CHEMICAL NAME :
- 2,4-Piperidinedione, 3,3-diethyl-5-methyl-
- CAS REGISTRY NUMBER :
- 125-64-4
- BEILSTEIN REFERENCE NO. :
- 0082860
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 15
- MOLECULAR FORMULA :
- C10-H17-N-O2
- MOLECULAR WEIGHT :
- 183.28
- WISWESSER LINE NOTATION :
- T6MV DVTJ C2 C2 E1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
Behavioral - changes in motor activity (specific assay)
Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N.
Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year:
198,1213,1966
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 26 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep
- REFERENCE :
- CTOXAO Clinical Toxicology. (New York, NY) V.1-18, 1968-81. For publisher
information, see JTCTDW. Volume(issue)/page/year: 6,563,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 860 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,264,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,264,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 380 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,264,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 890 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 118,139,1956
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 530 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- STRAAA Strahlentherapie. (Urban & Schwarzenberg, Postfach 202440, D-8000
Munich 2, Fed. Rep. Ger.) V.1- 1912- Volume(issue)/page/year:
127,245,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 275 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,264,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 300 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 :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 600 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 520 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,264,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,264,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 315 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and
D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,264,1972
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Rectal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University.
(Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
Japan) V.1- 1954- Volume(issue)/page/year: 7,513,1960
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - X3739
No. of Facilities: 44 (estimated)
No. of Industries: 1
No. of Occupations: 3
No. of Employees: 4481 (estimated)
No. of Female Employees: 4071 (estimated)
METHYPRYLON 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:2
4.可旋转化学键数量:2
5.互变异构体数量:4
6.拓扑分子极性表面积:46.2
7.重原子数量:13
8.表面电荷:0
9.复杂度:231
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:1
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
