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

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Names

[ CAS No. ]:
3625-18-1

[ Name ]:
5-(1,3-DIMETHYL-2-BUTENYL)-5-ETHYL BARBITURIC ACID

[Synonym ]:
McN-481
Mcneil 481

Chemical & Physical Properties

[ Density]:
1.087g/cm3

[ Molecular Formula ]:
C12H18N2O3

[ Molecular Weight ]:
238.28300

[ Exact Mass ]:
238.13200

[ PSA ]:
75.27000

[ LogP ]:
2.00870

[ Index of Refraction ]:
1.481

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ4025000
CHEMICAL NAME :
Barbituric acid, 5-(1,3-dimethyl-2-butenyl)-5-ethyl-
CAS REGISTRY NUMBER :
3625-18-1
LAST UPDATED :
199012
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C12-H18-N2-O3
MOLECULAR WEIGHT :
238.32
WISWESSER LINE NOTATION :
T6VMVMV FHJ FY1&Y1&1 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,177,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3500 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 8,61,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,177,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
250 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,177,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
250 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,177,1972

Safety Information

[ HS Code ]:
2933540000

Precursor & DownStream

Precursor

DownStream

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

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

  • 5-(2-BUTENYL)-5-ETHYL-2-THIOBARBITURIC ACID SODIUM SALT
  • 5-(1,1-Dimethyl-2-propynyl)-5-ethyl-2-sodiooxy-4,6(1H,5H)-pyrimidinedione
  • (5-ethyl-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl) thiocyanate
  • 5-(1,3-dimethylbutyl)-5-barbituric acid
  • 5-(4-chlorobenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)pyrimidinetrione
  • 5-(4-bromobenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)pyrimidinetrione
  • Ethyl 7-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
  • Ethyl 2-(benzylsulfanyl)-7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
  • 2-(2-chlorophenyl)-7-methyl-N-phenyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • 2-(pyridin-3-yl)-6-(thiophen-2-yl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
  • 6-(4-fluorophenyl)-2-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
  • 2-ethyl-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
  • 4-[(4-Methoxyphenyl)carbonyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazin-2-one
  • 10-isobutyryl-3,3-dimethyl-11-(2,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
  • 10-acetyl-3,3-dimethyl-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
  • 3,3-dimethyl-10-propanoyl-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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