allopurinol
- CAS:
- Other names:
- SMILES: O=C1N=CN=C2NNC=C12
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 136.11 | 3 | 2 | -0.40 | 74.43 | 0 | 85 | 0.00 | C5H4N4O |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| NT_a0072 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[allopurinol] | 1.20 | 6.5 | 25.0 | NMR diffusion measurements | Jimenez, V Alderete 2006 | |
| [b-Cyclodextrin](1).[allopurinol] | 1.48 | 10.0 | 25.0 | NMR diffusion measurements | Jimenez, V Alderete 2006 | |