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2964-06-9

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Basic Information
CAS No.: 2964-06-9
Name: 5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid
Molecular Structure:
Molecular Structure of 2964-06-9 (5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid)
Formula: C12H20 N2 O3
Molecular Weight: 240.302
Synonyms: Barbituricacid, 5-(1,3-dimethylbutyl)-5-ethyl- (6CI,7CI,8CI); (?à)-5-(1,3-Dimethylbutyl)-5-ethylbarbituricacid; 5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid;5-Ethyl-5-(1,3-dimethylbutyl)barbituric acid; DMBB; DMBEB; Diberal; NSC 31256
Density: 1.063g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.
PSA: 75.27000
LogP: 2.08860
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Chemistry

Product Name: Diberal (CAS NO.2964-06-9)


Molecular Formula: C12H20N2O3
Molecular Weight: 240.2988 g/mol
Mol File: 2964-06-9.mol
Density: 1.063 g/cm3
Surface Tension: 33.8 dyne/cm
XLogP3: 2.4
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Tautomer Count 5
Topological Polar Surface Area: 75.3
Heavy Atom Count: 17
Complexity: 330

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 2500ug/kg (2.5mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
dog LD50 oral 10mg/kg (10mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
mouse LD50 intraperitoneal 17mg/kg (17mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
mouse LD50 oral 70mg/kg (70mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.
rabbit LDLo intravenous 7mg/kg (7mg/kg)   Journal of the American Chemical Society. Vol. 58, Pg. 1354, 1936.
rat LD50 oral 75mg/kg (75mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Journal of Medicinal and Pharmaceutical Chemistry. Vol. 1, Pg. 31, 1959.

Safety Profile

Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.

Specification

 Diberal ,its CAS NO. is 2964-06-9,the synonyms is 5-Ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid ; 5-(1,3-Dimethylbutyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione ; 5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid ; Diberal ; DMBEB .