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Basic information
- CAS
107767-55-5- Standard SMILES
Cn1c(=O)n(CCCCC(C)(C)O)c(=O)c2[nH]cnc21- InChIKey
NWXULHNEYYFVMF-UHFFFAOYSA-N- Molecular formula
- C13H20N4O3
- Average molar mass
- 280.328 g/mol
- Monoisotopic mass
- 280.1535405
Names & identifiers
- Preferred name
- Albifylline
- IUPAC
- 1-(5-Hydroxy-5-methylhexyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- English name
- 1-(5-hydroxy-5-methylhexyl)-3-methylxanthine
- Molecular formula
- C13H20N4O3
- Molecular weight
- 280.32
Names & synonyms
HWA-1381-(5-hydroxy-5-methylhexyl)-3-methylxanthine3,7-Dihydro-1-(5-hydroxy-5-methylhexyl)-3-methyl-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,9-dihydro-1-(5-hydroxy-5-methylhexyl)-3-methyl-
Database identifiers
- CAS
107767-55-5- PubChem CID
- 115359
- DTXSID
DTXSID20148236- UNII
- A3E4BQL3WG
- Nikkaji
- J431.744K
Properties
Physicochemical properties
- Boiling point
- 527.2 · 527.2±56.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 8.62 · 8.62±0.70(Predicted)
- FDA UNII
- 3 E4BQL3WG · A3E4BQL3WG
Chemistry & industry
Applications
UsesAlbifylline (A 81-3138; HWA-138) is a Xanthine (HY-W017389) derivate. Albifylline reduces the shock-induced leukocyte adhesions to the sinusoidal endothelium in the liver after hemorrhagic shock and improves microvascular blood flow in the liver[1].
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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