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70-22-4

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Basic Information
CAS No.: 70-22-4
Name: OXOTREMORINE
Article Data: 7
Molecular Structure:
Molecular Structure of 70-22-4 (OXOTREMORINE)
Formula: C12H18 N2 O
Molecular Weight: 206.288
Synonyms: 2-Pyrrolidinone,1-[4-(1-pyrrolidinyl)-2-butynyl]- (6CI,8CI,9CI);1-(2-Oxopyrrolidinyl)-4-pyrrolidinyl-2-butyne;1-[4-(1-Pyrrolidinyl)-2-butynyl]-2-pyrrolidinone;2'-Oxopyrrolidino-1-pyrrolidino-4-butyne; NSC 330497; Oxotremorin;Oxotremorine; Oxytremorine; Tremorine, oxo-
Density: 1 g/mL at 25 °C(lit.)
Boiling Point: 124 °C0.1 mm Hg(lit.)
Flash Point: 113 °C
Hazard Symbols: T+,C
Risk Codes: R28; R34
Safety: Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of NOx.
PSA: 23.55000
LogP: 0.58380
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Chemistry

IUPAC Name: 1-(4-Pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
Synonyms of Oxotremorine (CAS NO.70-22-4) : 1-(2-Oxo-1-pyrrolidinyl)-4-(1-pyrrolidinyl)-2-butyne ; 1-(4-[1-Pyrrolidinyl]2-butynyl)-2-pyrrolidinone ; 2-Pyrrolidinone, 1-[4- (1-pyrrolidinyl)-2-butynyl]-
InChI: InChI=1/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
Product Categories: Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Alpha sort;H-MAlphabetic;M;MA - MD;Pesticides&Metabolites
CAS NO: 70-22-4
Molecular Formula:C12H18N2O
Molecular Weight :206.28
Molecular Structure :
EINECS: 200-728-0
Index of Refraction: 1.544
Surface Tension: 46.9 dyne/cm
Density: 1.109 g/cm3
Flash Point: 169.1 °C
Enthalpy of Vaporization: 62.12 kJ/mol
Boiling Point: 373.9 °C at 760 mmHg
Vapour Pressure: 8.7E-06 mmHg at 25°C
Storage Temp: 2-8°C
Solubility: H2O: 50 mg/mL
Appearance: Oxotremorine (CAS NO.70-22-4) is clear, light yellow liquid.

Uses

 Oxotremorine (CAS NO.70-22-4) is sympathomimetic that acts as a non-selective muscarinic acetylcholine receptor agonist.

 Oxotremorine (CAS NO.70-22-4) produces ataxia, tremor and spasticity, similar to those symptoms seen in Parkinsonism, and has thus become a research tool in experimental studies aimed at determining more effective anti-Parkinsonian drugs.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 162ug/kg (0.162mg/kg) LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR CONSTRICTION Journal of Pharmaceutical Sciences. Vol. 57, Pg. 1543, 1968.
man TDLo oral 7ug/kg (0.007mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) American Journal of Psychiatry. Vol. 144, Pg. 468, 1987.
mouse LD50 intraperitoneal 3mg/kg (3mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC Archiv fuer Toxikologie. Vol. 29, Pg. 39, 1972.
mouse LD50 intravenous 1382ug/kg (1.382mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1760, 1985.
mouse LD50 oral 11300ug/kg (11.3mg/kg)   HHS Publication Vol. FDA-80-1076, Pg. 212, 1980.
rat LD50 intraperitoneal 4400ug/kg (4.4mg/kg)   Toxicology and Applied Pharmacology. Vol. 14, Pg. 67, 1969.
rat LD50 intravenous 1220ug/kg (1.22mg/kg)   Fundamental and Applied Toxicology. Vol. 14, Pg. 560, 1990.
women TDLo oral 10ug/kg (0.01mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) American Journal of Psychiatry. Vol. 144, Pg. 468, 1987.

Safety Profile

Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of NOx.

Hazard Codes VeryT+CorrosiveC
Risk Statements 28-34
R28:Very toxic if swallowed. 
R34:Causes burns.
Safety Statements 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR UN 2810 6.1/PG 1
WGK Germany 3
RTECS UY5950100
F 10-23
HazardClass 6.1(a)
PackingGroup I