Basic information
- CAS
57229-37-5- Standard SMILES
O=C(O)CNC(=O)c1cnccn1- InChIKey
VEIDKUXSCXOFHB-UHFFFAOYSA-N- Molecular formula
- C7H7N3O3
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.04874109
Overview
metabolite of pyrazinamide
Names & identifiers
- Preferred name
- N-(2-Pyrazinylcarbonyl)glycine
- IUPAC
- 2-(pyrazine-2-carbonylamino)acetic acid
- English name
- pyrazinuric acid
- Molecular formula
- C7H7N3O3
- Molecular weight
- 181.15
Names & synonyms
57229-37-5Pyrazinuric acidN-(Pyrazinylcarbonyl)glycineDTXSID10205847N-(2-Pyrazinylcarbonyl)glycineRefChem:926713DTXCID40128338(Pyrazine-2-carbonyl)glycine2-(pyrazine-2-carbonylamino)acetic acidN-(pyrazine-2-carbonyl)glycineGlycine, N-(pyrazinylcarbonyl)-Glycine, N-(2-pyrazinylcarbonyl)-
Show more names
MFCD09048392SCHEMBL4453572AKOS000132358CS-0363240H65139
Database identifiers
- CAS
57229-37-5- PubChem CID
- 3085122
- DTXSID
DTXSID10205847- Nikkaji
- J265.050I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 229 · 229-230 °C
- Boiling point
- 537.1 · 537.1±40.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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