70-22-4

70-22-4 structure
70-22-4 structure

Name 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
Synonyms oxotremorine M
Tremorine,oxo
Oxotremorin
2'-Oxopyrrolidino-1-pyrrolidino-4-butyne
Oxotremorine
EINECS 200-728-0
oxotremorin-M
Oxytremorine
Density 1.109g/cm3
Boiling Point 373.9ºC at 760 mmHg
Molecular Formula C12H18N2O
Molecular Weight 206.28400
Flash Point 169.1ºC
Exact Mass 206.14200
PSA 23.55000
LogP 0.58380
Index of Refraction 1.544

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
Hazard Codes T+,C
Risk Phrases 28-34
RIDADR UN 2810 6.1/PG 1
Hazard Class 6.1(a)