2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl-

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Names

[ Name ]:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1,3-dimethylbutyl)-5-ethyl-

[Synonym ]:
DMBEB
5-Aethyl-5-(1,3-dimethyl-butyl)-barbitursaeure
5-ethyl-5-(1,3-dimethylbutyl)-5-barbituric acid
Diberal
5-(1,3-dimethyl-butyl)-5-ethyl-pyrimidine-2,4,6-trione
5-(1,3-Dimethylbutyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
5-ethyl-5-(1',3'-dimethylbutyl)barbituric acid
5-(1,3-Dimethylbutyl)-5-ethylbarbituric acid

Chemical & Physical Properties

[ Density]:
1.063g/cm3

[ Molecular Formula ]:
C₁₂H₂₀N₂O₃

[ Molecular Weight ]:
240.29900

[ Exact Mass ]:
240.14700

[ PSA ]:
75.27000

[ LogP ]:
2.08860

[ Index of Refraction ]:
1.465

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CQ4060000

CHEMICAL NAME :: Barbituric acid, 5-(1,3-dimethylbutyl)-5-ethyl-

CAS REGISTRY NUMBER :: 2964-06-9

LAST UPDATED :: 199107

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C12-H20-N2-O3

MOLECULAR WEIGHT :: 240.34

WISWESSER LINE NOTATION :: T6VMVMV FHJ FY1&1Y1&1 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 70 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 17 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 10 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 2500 ug/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 1,31,1959

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 7 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 58,1354,1936

Safety Information

[ HS Code ]:
2933540000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933540000

[ Summary ]:
2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

Related Compounds

N-[(4-Formylphenyl)methyl]cyclopropanecarboxamide
2,2-Dichloro-N-[(3-formylphenyl)methyl]acetamide
(2R,4R)-2-(Iodomethyl)-4-(3-methylphenyl)oxolane
6-Methyl-3-(3-methylphenyl)-1,2-dihydropyrazin-2-one
7-Chloro-5-cyano-1H-indole-2-carboxylic acid
5-Butoxy-2-hydrazinylpyridine
5-(2-Ethylhydrazin-1-yl)pyridine-2-carboxamide
3,3-Diethyl-2,3-dihydro-1H-indol-5-amine
2-(2-Methylpropyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazine
2-Methoxy-N-(3-methoxy-5-methylphenyl)acetamide

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