Etofylline

C₉H₁₂N₄O₃CAS 519-37-9224.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂N₄O₃
Molar mass: 224.22 g/mol
Exact mass: 224.0909 Da
Melting point: 158 °C
logP: -1.57Crippen estimate
Polar surface area: 82.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

519-37-9

SMILES

Cn1c(=O)c2c(ncn2CCO)n(C)c1=O

InChIKey

NWPRCRWQMGIBOT-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

29 names · show all

1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-
Theophylline, 7-(2-hydroxyethyl)-
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
Cordalin
7-(β-Hydroxyethyl)theophylline
7-(2-Hydroxyethyl)theophylline
Oxyethyltheophylline
Oxyphylline
Phyllocormin N
7-(Hydroxyethyl)theophylline
Hydroxyethyltheophylline
7-(2-Hydroxyethyl)-1,3-dimethylxanthine
Oxytheonyl
Oxphylline
Aethophyllinum
Ascorphylline
Bio-phylline
Corophyllin-N
Dilaphyllin
Soluphylline
Frekaphyllin
7-Theophyllineethanol
Oxyphyllin
KT 200G
Etophyllin
Oxyethophylline
Etophylline
NSC 113373
1,3-Dimethyl-7-(2-hydroxyethyl)xanthine

Work with Etofylline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Proxyphylline603-00-964 % similar Acefylline652-37-964 % similar Diprophylline479-18-564 % similar Doxofylline69975-86-660 % similar Caffeine58-08-259 % similar 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)5743-12-455 % similar Theofibrate54504-70-048 % similar Xanthinol nicotinate437-74-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Theacrine2309-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook