Basic information
- CAS
13401-38-2- Standard SMILES
Cc1cnc2c(=O)[nH]c(=O)[nH]c2n1- InChIKey
WIXGFZWEUAUYGB-UHFFFAOYSA-N- Molecular formula
- C7H6N4O2
- Average molar mass
- 178.15 g/mol
- Monoisotopic mass
- 178.04907545
Overview
oxidative degradation product of 7-methyl-substituted pteridines in methanogenic bacteria; no other info available 6/85
Names & identifiers
- Preferred name
- 7-Methyllumizine
- IUPAC
- 7-methyl-1H-pteridine-2,4-dione
- English name
- 7-methyllumizine
- Molecular formula
- C7H6N4O2
- Molecular weight
- 178.15
Names & synonyms
13401-38-27-MethyllumizineDTXSID40158458RefChem:914384DTXCID60809497-Methylpteridine-2,4(1H,3H)-dione7-Methyl Lumazine7-Methyllumazine7-Methylpteridine-2,4-diol7-methyl-1H-pteridine-2,4-dioneLumazine, 7-methyl-2,4(1H,3H)-Pteridinedione, 7-methyl-
Show more names
7-Methyl-2,4(1H,3H)-pteridinedione
NSC 1603947-Methyl-pteridine-2,4-diolMethyllumazin (isomerengemisch)orb3238254SCHEMBL3411910SCHEMBL53091407-methyl-8H-pteridine-2,4-dione2,3H)-Pteridinedione, 7-methyl-
Database identifiers
- CAS
13401-38-2- PubChem CID
- 5374589
- DTXSID
DTXSID40158458- Nikkaji
- J102.660G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 300 °C · >300 °C(Solv: ethanol (64-17-5))
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Powder
- pka
- 9.51 · 9.51±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312a-P330-P501a
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
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Applications
UsesMethyl-substituted imidazo[1,2-a]pyrazine derivatives with antiinflammatory, analgesic and ulcerogenic activities
Uses7-Methyl Lumazine is a methyl-substituted Lumazine, an oxidative degradation product of Lumazine with antiinflammatory, analgesic and ulcerogenic activities
UsesA methyl-substituted imidazo[1,2-a]pyrazine derivative
Upstream & downstream products
Downstream products
Suppliers8 total
凯试(上海)科技有限公司021-50135380 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄靖康科技有限公司13933818572 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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