Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate

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Names

[ CAS No. ]:
2244-11-3

[ Name ]:
Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate

[Synonym ]:
Mesoxalylcarbamide monohydrate
2,4,5,6-Tetraoxohexahydropyrimidine hydrate
MFCD00149399
2,4,5,6-Tetraoxypyrimidine
2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate
alloxan hydrate
2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate (1:1)
ALLOXAN MONOHYDRATE
alloxane monohydrate
1,3-dihydropyrimidine-2,4,5,6-tetraone,hydrate
2,4,5,6(1H,3H)-Pyrimidinetetrone, hydrate (1:1)
Alloxan-monohydrat
5,6-Dioxyuracil
alloxane hydrate
Alloxan,monohydrate
Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate
EINECS 251-501-8
Pyrimidine-2,4,5,6(1H,3H)-tetrone hydrate (1:1)

Chemical & Physical Properties

[ Density]:
1.681g/cm3

[ Boiling Point ]:
374.1ºC at 760 mmHg

[ Melting Point ]:
255 °C (dec.)(lit.)

[ Molecular Formula ]:
C4H4N2O5

[ Molecular Weight ]:
160.085

[ Flash Point ]:
180ºC

[ Exact Mass ]:
160.012024

[ PSA ]:
115.73000

[ Vapour Pressure ]:
8.59E-07mmHg at 25°C

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
H2O: may be hazy yellow

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW0492000
CHEMICAL NAME :
2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate
CAS REGISTRY NUMBER :
2244-11-3
LAST UPDATED :
199603
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C4-H2-N2-O4.H2-O
MOLECULAR WEIGHT :
160.10
WISWESSER LINE NOTATION :
T6MVMVVVJ &QH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - pig
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Endocrine - diabetes mellitus Endocrine - hyperglycemia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
65400 ug/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
60 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
1 pph
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 7,325,1985

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332

[ Precautionary Statements ]:
P280

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UW0492000

[ HS Code ]:
29335995

Precursor & DownStream

Precursor

DownStream

  • 6,7-dichloroquinoxalin-2-amine
  • Benzo[g]pteridine-2,4(3H,10H)-dione, 10-dodecyl-

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...

A predictive ligand-based Bayesian model for human drug-induced liver injury.

Drug Metab. Dispos. 38 , 2302-8, (2010)

Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti...


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Related Compounds

  • pyrimidine-2,4,5,6(1H,3H)-tetraone
  • alloxan
  • pyrimidine-2,4,5,6(1H,3H)-tetrone 5-oxime, monosodium salt
  • 1-(4-aminophenyl)-1,3-diazinane-2,4,5,6-tetrone
  • 1-[[[4-(4-aminophenyl)sulfonylphenyl]amino]methyl]-1,3-diazinane-2,4,5,6-tetrone
  • 5-[(4-Chlorophenyl)hydrazono]pyrimidine-2,4,6(1H,3H)-trione
  • 3-(2-Chloropyridin-4-YL)propan-1-amine
  • 5-(aminomethyl)-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
  • 1-Chloromethyl-4-(1-ethylpropoxy)benzene
  • N1,N1-Diethyl-N3-methylbenzene-1,3-diamine
  • 1-[(4-butoxy-3-isopropylphenyl)sulfonyl]-3-methyl-1H-pyrazole
  • methyl 1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
  • N-(1-cyanocyclobutyl)isoquinoline-1-carboxamide
  • N-(cyanomethyl)-N-cyclopropyl-3-[(2-fluorophenyl)sulfanyl]propanamide
  • Poly(oxy-1,2-ethanediyl), I+/--[2-[[(dodecylthio)thioxomethyl]thio]-2-methyl-1-oxopropyl]-I-methoxy-
  • 3-Fluoro-5-(3,4-methylenedioxyphenyl)phenol
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