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

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Names

[ CAS No. ]:
2964-06-9

[ 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

  • 5-(1,3-DIMETHYL-2-BUTENYL)-5-ETHYL BARBITURIC ACID

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

  • I(2)-D-Glucopyranosyl (3I(2),16I+/-)-3-[(O-I(2)-D-glucopyranosyl-(1a3)-O-I(2)-D-glucopyranosyl-(1a3)-I+/--L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate
  • 1-Piperidineacetamide, I+/--ethyl-2-(2-hydroxyethyl)-
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  • 1-(4-Chlorobutyl)-1H-1,2,4-triazole
  • 3-[1-(difluoromethyl)-1H-imidazol-2-yl]aniline
  • 1-(difluoromethyl)-1H-1,2,4-triazol-3-amine
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