Pyrimidine-2,4,5,6(1H,3H)-tetraone hydrate
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)
Biological Activity
[Description]:
[Related Catalog]:
[In Vitro]
[References]
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
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
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
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...