氧化抗震颤素

密度：

1.109g/cm3

沸点：

373.9ºC at 760 mmHg

闪点：

169.1ºC

折射率：

1.544

风险类别：

6.1(a)

危险类别码：

28-34

危险标志：

T+,C

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UY5950100

CHEMICAL NAME :

2-Pyrrolidinone, 1-(4-(1-pyrrolidinyl)-2-butynyl)-

CAS REGISTRY NUMBER :

70-22-4

BEILSTEIN REFERENCE NO. :

1530948

LAST UPDATED :

199709

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C12-H18-N2-O

MOLECULAR WEIGHT :

206.32

WISWESSER LINE NOTATION :

T5NVTJ A2UU2- AT5NTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

7 ug/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

REFERENCE :

AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 144,468,1987

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

10 ug/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

REFERENCE :

AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 144,468,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4400 ug/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: 14,67,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1220 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 14,560,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

11300 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

HPFSDS HHS Publication (FDA. United States). (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) 1980- Volume(issue)/page/year: FDA-80-1076,212,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3 mg/kg

TOXIC EFFECTS :

Autonomic Nervous System - other (direct) parasympathomimetic

REFERENCE :

ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74. For publisher information, see ARTODN. Volume(issue)/page/year: 29,39,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1382 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,1760,1985

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

162 ug/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - bronchiolar constriction

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 57,1543,1968

计算化学数据

1.疏水参数计算参考值（XlogP）:0.4

2.氢键供体数量:0

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:2

6.拓扑分子极性表面积:23.6

7.重原子数量:15

8.表面电荷:0

9.复杂度:293

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: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