1-Diethylaminoethylphenobarbital
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Basic information
- CAS
1164-33-6- Standard SMILES
CCN(CC)CCN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O.Cl- InChIKey
JPSKYEDINNEHEB-UHFFFAOYSA-N- Molecular formula
- C18H26ClN3O3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1662694
Overview
structure given in first source; RN given refers to parent compound
Names & identifiers
- Preferred name
- 1-Diethylaminoethylphenobarbital
- IUPAC
- 1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;hydrochloride
- English name
- 1-diethylaminoethylphenobarbital
- Molecular formula
- C18H25N3O3
- Molecular weight
- 331.41
Names & synonyms
1-Diethylaminoethylphenobarbital1164-33-6DEAE-phenobarbitalRefChem:756083-(2-(Diethylamino)ethyl)-5-ethyl-5-phenylbarbituric acid hydrochlorideF 1565,5-Phenyl-aethyl-3-(beta-diaethylamino-aethyl)-2,4,6-trioxo-hexahydropyrimidin-HCl [German]WZSCHEMBL30833262DTXSID00922036Barbituric acid, monohydrochlorideNSC403764
Show more names
F-156Hexamid1-(2-Diethylaminoethyl)phenobarbital1-(2-Diethylaminoethyl)-5-ethyl-5-phenylbarbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[2-(diethylamino)ethyl]-5-ethyl-5-phenyl-
NSC-4037645,5-Phenyl-aethyl-3-(beta-diaethylamino-aethyl)-2,4,6-trioxo-hexahydropyrimidin-HClBARBITURIC ACID, 3-(2-(DIETHYLAMINO)ETHYL)-5-ETHYL-5-PHENYL-, HYDROCHLORIDE14961-85-43-[2-(diethylamino)ethyl]-5-ethyl-6-hydroxy-5-phenyl-2,4(3H,5H)-pyrimidinedione hydrochloride3-[2-(Diethylamino)ethyl]-5-ethyl-6-hydroxy-5-phenylpyrimidine-2,4(3H,5H)-dione--hydrogen chloride (1/1)
Database identifiers
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- pka
- 7.73 · 7.73±0.10(Predicted)
- Toxicity
- 50 oral · LD50 oral in mouse: 190mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in mouse: 190mg/kg
Related reactions
0 records
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Compound notes
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