Furo(3,4-d)pyrimidine-2,4,7(1H,3H,5H)-trione
Basic information
- CAS
4156-75-6- Standard SMILES
O=C1OCc2c1[nH]c(=O)[nH]c2=O- InChIKey
MFHLWNMYHQMDMV-UHFFFAOYSA-N- Molecular formula
- C6H4N2O4
- Average molar mass
- 168.11 g/mol
- Monoisotopic mass
- 168.01710661
Names & identifiers
- Preferred name
- Furo(3,4-d)pyrimidine-2,4,7(1H,3H,5H)-trione
- IUPAC
- 1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trione
- English name
- Lactone 5-hydroxymethyl orotic acid
- Molecular formula
- C6H4N2O4
- Molecular weight
- 168.11
Names & synonyms
FURO[3,4-D]PYRIMIDINE-2,4,7(1H,3H,5H)-TRIONEFuro(3,4-d)pyrimidine-2,4,7(1H,3H,5H)-trioneRefChem:607831870-691-94156-75-62,4-Dihydroxyfuro[3,4-d]pyrimidin-7(5H)-oneLactone-(5-hydroxymethyl)orotic acid1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trione1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7(3H)-trione1H,2H,3H,4H,5H,7H-furo[3,4-d]pyrimidine-2,4,7-trioneMFCD00702859NSC667243
Show more names
1,5-dihydrofuro[4,3-e]pyrimidine-2,4,7-trione1,5-Dihydro-furo[3,4-d]pyrimidine-2,4,7-trione1,5-dihydro-Furo[3,4-d]pyriMidine-2,4,7(3H)-trione
MFCD22415503Furo[3,4-d]pyrimidine-2,4,7(3H)-trione, 1,5-dihydro-1,3,5-trihydrofurano[3,4-d]pyrimidine-2,4,7-trioneHMS1681J152,4-dihydroxy-5H-furo[3,4-d]pyrimidine-7-oneLACTONE 5-HYDROXYMETHYL OROTIC ACIDSCHEMBL985391CHEMBL1631846
Database identifiers
- CAS
4156-75-6- PubChem CID
- 326067
- DTXSID
DTXSID30315659- ChEMBL
CHEMBL1631846- EC Number
- 870-691-9
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 310 · 310-312 °C
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.96 · 7.96±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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