Phenobarbital Calcium
Basic information
- CAS
7645-06-9- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].CCC1(c2ccccc2)C(=O)NC(=O)N=C1[O-].[Ca+2]- InChIKey
ZETGTVOTPNZDKD-UHFFFAOYSA-L- Molecular formula
- C24H22CaN4O6
- Average molar mass
- 502.5 g/mol
- Monoisotopic mass
- 502.1165253
Overview
See also: Phenobarbital (has active moiety).
Names & identifiers
- Preferred name
- Phenobarbital Calcium
- IUPAC
- calcium bis(5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate)
- English name
- 5-Ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione/calcium,(1:x) salt
- Molecular formula
- C24H22CaN4O6
- Molecular weight
- 502.53268
Names & synonyms
PHENOBARBITAL CALCIUM1J4G3UJJ697645-06-9CALCIUM PHENOBARBITALUNII-1J4G3UJJ69EINECS 231-583-1PHENOBARBITAL CALCIUM [WHO-DD]5-ETHYL-5-PHENYL-BARBITURIC ACID CALCIUM SALT2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, calcium salt (2:1)RefChem:172706231-583-15-Ethyl-5-phenylbarbituric acid, calcium salt
Show more names
5-Ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione/calcium,(1:x) salt
Q27252484
Database identifiers
- CAS
7645-06-9- PubChem CID
- 24283
- UNII
- 1J4G3UJJ69
- EC Number
- 231-583-1
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- FDA UNII
- 1 J4G3UJJ69 · 1J4G3UJJ69
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Related reactions
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Compound notes
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