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Chemical structure of Furafylline

GC32855

Furafylline

Also known as 3-(furan-2-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione

Furafylline, as a long-acting replacement for theophylline in the treatment of asthma, is a methylxanthine derivative

ChemicalCAS80288-49-9MW260.25FormulaC12H12N4O3
CAS number
80288-49-9
Molecular weight
260.25
Formula
C12H12N4O3
Solubility
DMSO ： 12·5 mg/mL (48·03 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
KGQZGCIVHYLPBH-UHFFFAOYSA-N
Catalogue number
GC32855
Brand
GLPBIO
Computed properties PubChem CID 3433 · XLogP 0.6 · TPSA 82.4 Ų · H-bond donors 1
XLogP
0.6
TPSA
82.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

SMILES CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C

Computed descriptors from PubChem (CID 3433), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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