Pentobarbital
- CAS:
- Other names: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-; Barbituric acid, 5-ethyl-5-(1-methylbutyl)-; Ethaminal; Mebubarbital; Nembutal; Neodorm; Pentabarbitone; Pentobarbitone; Pentobarbituric acid; Rivadorm; 5-Ethyl-5-(sec-pentyl)barbituric acid; 5-Ethyl-5-(1-methylbutyl)barbituric acid; Dorsital; Mebumal; Nebralin; Neodorm (new); Pentabarbital; 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Ethyl-5-(1-methylbutyl)malonylurea; Ethyl-propylmethylcarbinylbarbituric acid; Pentobarbiturate; 5-Ethyl-5-(1-methylbutyl)barbituric acidcid
- SMILES: CCCC(C)C1(CC)C(=O)NC(=O)NC1=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 226.27 | 5 | 2 | 1.84 | 75.27000000000001 | 4 | 47 | 0.73 | C11H18N2O3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt0759 | 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 |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[Pentobarbital] | 2.61 | 25.0 | Kenneth A. Connors 1995 | |||