Theophylline-ethylenediamine
1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine
Also Known As: Euphylline|Euphyllin|aminophylline|Methophylline|Theophyllamine|Theophyllaminum|Variaphylline|Aminocardol|Aminophyllin|Ammophyllin|Cardiofilina|Cardophylin|Cardophyllin|Diaphylline|Diuxanthine|Ethophylline|Eurphyllin|Genophyllin|Inophylline|Linampheta|Metaphyllin|Metaphylline|Neophyiline|Norofilina|Peterphyllin|Phylcardin|Phyllindon|Phyllocontin|Somophyllin|Stenovasan|Syntophyllin|Theolamine|Theophyldine|Thephyldine|Vasofilina|Aminodur|Cardiomin|Cariomin|Diophllin|Euufillin|Grifomin|Lixaminol|Minaphil|Miofilin|Theodrox|Theolone|Lasodex|Tefamin|Carena|Somophyllin O
| Molecular Formula | C9H16N6O2 |
|---|---|
| Molecular Weight | 240.13347 g/mol |
| LogP | -2.1359 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.13347 |
| Monoisotopic Mass | 240.13347 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 95646-60-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N |
| InChIKey | LHRHXWBJUQKYEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theophylline-ethylenediamine (CAS 95646-60-9), with molecular formula C9H16N6O2 and molecular weight 240.13347 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine.
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