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Basic information
- CAS
80288-49-9- Standard SMILES
Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1- InChIKey
KGQZGCIVHYLPBH-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.09094026
Names & identifiers
- Preferred name
- Furafylline
- IUPAC
- 3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
- English name
- 3-(2-FURANYLMETHYL)-3,7-DIHYDRO-1,8-DIMETHYL-1H-PURINE-2,6-DIONE
- Molecular formula
- C12H12N4O3
- Molecular weight
- 260.25
Names & synonyms
Furafylline80288-49-9FurafilinaFurafyllinumC2087G0XX33-(2-furfuryl)-1,8-dimethyl-7H-purine-2,6-quinone1,8-dimethyl-3-(2'-furfuryl)-1H-purine-2,6-dioneRefChem:607721Furafylline [INN]3-Furfuryl-1,8-dimethylxanthine3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H,7H)-dione3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
Show more names
FuratheophyllineFurafylline, 10 mM in DMSOFurafylline, PDE inhibitorFURAFYLLINE INHIBITOR OF CYTOCHROCytochrome P450,inhibit,Inhibitor,CYPs,Furafylline
DTXSID20451533-(2-Furanylmethyl)-3,7-dihydro-1,8-dimethyl-1H-purine-2,6-dione1H-Purine-2,6-dione,3-(2-furanylmethyl)-3,9-dihydro-1,8-dimethyl-CHEMBL405845NCGC00015426-043-(furan-2-ylmethyl)-1,8-dimethyl-3,7-dihydro-1H-purine-2,6-dioneFurafilina [Spanish]Furafyllinum [Latin]
Database identifiers
- CAS
80288-49-9- PubChem CID
- 3433
- DTXSID
DTXSID2045153- ChEMBL
CHEMBL405845- ChEBI
CHEBI:165840- UNII
- C2087G0XX3
- Nikkaji
- J23.259I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 162 °C · >162°C (dec.)
- Boiling point
- 543.6 · 543.6±60.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- 0.33 mg/mL · ethanol: 0.33 mg/mL
- form
- solid
- pka
- 8.62 · 8.62±0.70(Predicted)
- color
- white
- InChI
- InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)
- InChIKey
- KGQZGCIVHYLPBH-UHFFFAOYSA-N
- SMILES
- N1C2=C(N(CC3=CC=CO3)C(=O)N(C)C2=O)NC=1C
- FDA UNII
- 2087 G0XX3 · C2087G0XX3
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesFurafylline is a selective inhibitor of human cytochrome P450. It is also reported to inhibit the oxidation of caffeine.
Suppliers82 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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