7-(β-Hydroxyethyl)theophylline
1875
Reference
7-(β-Hydroxyethyl)theophylline Structure
Systematic / IUPAC Name: 7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
ID: Reference1875
Other Names:
Etofylline;
7-(2-Hydroxyethyl)theophylline;
Aethophyllinum;
Oxyphylline;
Oxyethyltheophylline
; more
Formula: C9H12N4O3
Spectral Data
7-(β-Hydroxyethyl)theophylline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 39 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/21/2015 2:29:28 PM |
Identificators
| 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 |
| Canonical SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO |
| CAS | 519379 |
| Splash | |
| Other Names |
Etofylline; 7-(2-Hydroxyethyl)theophylline; Aethophyllinum; Oxyphylline; Oxyethyltheophylline; Ascorphylline; Dilaphyllin; Frekaphyllin; Sklerodormal; Soluphylline; Cordalin; Oxytheonyl; Bio-phylline; Corophyllin-N-; Phyllocormin N-; Oxphylline (amido); Theophylline, 7-(2-hydroxyethyl)-; Oxyetophyllinum; 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine; 7-(Hydroxyethyl)theophylline; 7-Theophyllineethanol; Hydroxyethyl theophylline; 7-(2-Hydroxyethyl)-1,3-dimethylxanthine; 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-; 7-(2-Hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 7-(2-Hydroxyethyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione; Oxyaethyltheophyllin; 7-Hydroxyethyltheophylline; 7-(β-Hydroxyethyl)theophylline; β-Hydroxyethyl theophylline; 7-(2-Hydroxyethyl)-1,3-dimethyl-purine-2,6-dione; 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione; 7-(2-Hydroxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione |