Tonapofylline
3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid
Also Known As: Tonapofylline|Tonapofilina|tonapofyllinum|Bg 9928|BG9928|BG-9928|Tonapofylline [USAN:INN]|TONAPOFYLLINE [INN]|Tonapofylline (USAN/INN)|TONAPOFYLLINE [USAN]|GTPL5605|BIO4683|BIO5770|BIO7505|BIO8170|BIO9002|BIO-4683|BIO-5770|BIO-7505|BIO-8170|BIO-9002
| Molecular Formula | C22H32N4O4 |
|---|---|
| Molecular Weight | 416.24237 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.24237 |
| Monoisotopic Mass | 416.24237 |
| Heavy Atoms | 30 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 38652-53-8 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)O |
| InChIKey | ZWTVVWUOTJRXKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tonapofylline (CAS 38652-53-8), with molecular formula C22H32N4O4 and molecular weight 416.24237 g/mol. IUPAC: 3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid.
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