Basic information
- Standard SMILES
CCCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+]- InChIKey
QGMRQYFBGABWDR-UHFFFAOYSA-M- Molecular formula
- C11H17N2NaO3
- Average molar mass
- 248.25 g/mol
Overview
See also: Pentobarbital Sodium (preferred); Pentobarbital Sodium; Phenytoin Sodium (component of); Pentobarbital Sodium; Thiopental Sodium (component of).
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, sodium salt (1:1)
- IUPAC
- sodium 5-ethyl-5-pentan-2-ylpyrimidin-3-ide-2,4,6-trione
Names & synonyms
Pentobarbital sodium [JAN]SCHEMBL4331710PENTOBARBITAL SODIUM [VANDF]PENTOBARBITAL SODIUM [MART.]PENTOBARBITAL SODIUM [WHO-DD]AKOS030529212PENTOBARBITAL SODIUM SALT [MI]PENTOBARBITAL SODIUM [GREEN BOOK]PENTOBARBITAL SODIUM [EP IMPURITY]PENTOBARBITAL SODIUM [ORANGE BOOK]PENTOBARBITAL SODIUM [EP MONOGRAPH]PENTOBARBITAL SODIUM [USP MONOGRAPH]
Show more names
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, SODIUM SALT (1:1)
Database identifiers
- CAS
57-33-0- PubChem CID
- 14075609
- UNII
- NJJ0475N0S
Properties
Computed structural properties
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Related reactions
4 records
Linked notes
Loading…