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Chemical structure of Etofylline

GC34037

Etofylline

Also known as 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione

Etofylline (7-(β-Hydroxyethyl)theophylline) is a N-7-substituted derivative of Theophylline

ChemicalCAS519-37-9MW224.22FormulaC9H12N4O3
CAS number
519-37-9
Molecular weight
224.22
Formula
C9H12N4O3
Solubility
DMSO ： ≥ 100 mg/mL (445·99 mM)
InChIKey
NWPRCRWQMGIBOT-UHFFFAOYSA-N
Catalogue number
GC34037
Brand
GLPBIO
Computed properties PubChem CID 1892 · XLogP -1.2 · TPSA 78.7 Ų · H-bond donors 1
XLogP
-1.2
TPSA
78.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO

Computed descriptors from PubChem (CID 1892), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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