Chemical Properties of Etofylline (CAS 519-37-9)

Etofylline

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InChI
InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChI Key
NWPRCRWQMGIBOT-UHFFFAOYSA-N
Formula
C9H12N4O3
SMILES
Cn1c(=O)c2c(ncn2CCO)n(C)c1=O
Molecular Weight1
224.22
CAS
519-37-9
Other Names
  • 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine
  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-
  • 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 7-(.beta.-hydroxyethyl)theophylline
  • 7-(2'-Hydroxyethyl)theophylline
  • 7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 7-(2-hydroxyethyl)-1,3-dimethylxanthine
  • 7-(2-hydroxyethyl)theophylline
  • 7-(Hydroxyethyl)theophylline
  • 7-(«beta»-Hydroxyethyl)theophylline
  • 7-Theophyllineethanol
  • Aethophyllinum
  • Ascorphylline
  • Bio-phylline
  • Cordalin
  • Corophyllin-N
  • Dilaphyllin
  • Frekaphyllin
  • Hydroxyethyltheophylline
  • NSC 113373
  • OT
  • Oxphylline
  • Oxphylline (Amido)
  • Oxyaethyltheophyllin
  • Oxyethyltheophylline
  • Oxyphylline
  • Oxytheonyl
  • Phyllocormin N
  • Sklerodormal
  • Soluphylline
  • Theophylline, 2-hydroxyethyl
  • Theophylline, 7-(2-hydroxyethyl)-

Physical Properties

Property Value Unit Source
Δfus 32.62 kJ/mol The phy...
log10WS -3.99 Crippen Calculated Property
logPoct/wat -1.574 Crippen Calculated Property
McVol 156.280 ml/mol McGowan Calculated Property
Inp 2090.00 NIST
Tfus 435.80 K The phy...

Similar Compounds

1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-. Acefylline Piperazine. Theophylline, n-propyl derivative. Proxyphylline. 7-Butyltheophylline. Etamiphyllin. Isbufylline. Dyphylline. 1-Ethyltheobromine. Theobromine, n-propyl derivative. 1-Butyltheobromine. Paraxanthine, n-propyl derivative. 1-(6'-hydroxyhexyl)-3-methyl-7-propylxanthine, O-TFA. Pentifylline. Xanthine, 1-(5'-hydroxyhexyl)-3,7-dimethyl.

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Mixtures

Sources

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