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115-44-6

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Basic Information
CAS No.: 115-44-6
Name: TALBUTAL CIII (250 MG)
Molecular Structure:
Molecular Structure of 115-44-6 (TALBUTAL CIII (250 MG))
Formula: C11H16 N2 O3
Molecular Weight: 224.26
Synonyms: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylpropyl)-5-(2-propenyl)- (9CI); Barbituric acid, 5-allyl-5-sec-butyl-(6CI,7CI,8CI); 5-Allyl-5-(1-methylpropyl) barbituric acid;5-Allyl-5-sec-butylbarbituric acid; Lotusate; Profundol; Talbutal
Density: 1.098g/cm3
Melting Point: 108-110°
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: 2.16g/L(temperature not stated)
Safety: Poison by ingestion, intraperitoneal, and intravenous routes. Human psychotropic effects by ingestion. When heated to decomposition it emits toxic NOx. See also BARBITURATES and ALLYL COMPOUNDS. A sedative and hypnotic agent.
PSA: 75.27000
LogP: 1.61860
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Chemistry

Product Name: 5-Allyl-5-sec-butylbarbituric acid (CAS NO.115-44-6)


Molecular Formula: C11H16N2O3
Molecular Weight: 224.25634g/mol
Mol File: 115-44-6.mol
Einecs: 204-090-4
Density: 1.098g/cm3
Surface Tension: 34.9 dyne/cm
XLogP3: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 3

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
duck LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LDLo intravenous 143mg/kg (143mg/kg)   Compilation of LD50 Values of New Drugs.
pigeon LD50 oral 56mg/kg (56mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rabbit LDLo intraperitoneal 55mg/kg (55mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rabbit LDLo intravenous 50mg/kg (50mg/kg)   Journal of the American Chemical Society. Vol. 57, Pg. 1961, 1935.
rabbit LDLo oral 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rat LD50 oral 57500ug/kg (57.5mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LDLo intraperitoneal 75mg/kg (75mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932.
rat LDLo intravenous 68mg/kg (68mg/kg)   Compilation of LD50 Values of New Drugs.

Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. Human psychotropic effects by ingestion. When heated to decomposition it emits toxic NOx. See also BARBITURATES and ALLYL COMPOUNDS. A sedative and hypnotic agent.

Specification

 5-Allyl-5-sec-butylbarbituric acid ,its CAS NO. is 115-44-6,the synonyms is Taibutal CIII (250 MG) ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylpropyl)-5-(2-propenyl)- ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methypropyl)-5-(2-propenyl)- ; 5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione ; 5-(1-methylpropyl)-5-(2-propenyl)-2,4-6(1h,3h,5h)-pyrimidinetrione ; 5-Allyl-5-(1-methylpropyl) barbituric acid ; 5-allyl-5-(1-methylpropyl)barbituricacid ; 5-Allyl-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione .