Basic information
- CAS
27511-99-5- Standard SMILES
CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O- InChIKey
DACOQFZGGLCXMA-UHFFFAOYSA-N- Molecular formula
- C16H20N2O5
- Average molar mass
- 320.34 g/mol
- Monoisotopic mass
- 320.13722174
Overview
Eterobarb is a member of barbiturates.
Names & identifiers
- Preferred name
- Eterobarb
- IUPAC
- 5-ethyl-1,3-bis(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- Eterobarb
- Molecular formula
- C16H20N2O5
- Molecular weight
- 320.34
Names & synonyms
EterobarbEterobarbital27511-99-5EterobarbeEterobarboEX 12-095EterobarbumRMI 16,238N,N'-DimethoxymethylphenobarbitalRMI-162385-Ethyl-1,3-bis(methoxymethyl)-5-phenylbarbituric acidDTXSID9045710
Show more names
RMI 16238N,N'-Bis(methoxymethyl)phenobarbital5-Ethyl-1,3-bis(methoxymethyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
EX-12-095432SI047GADTXCID7025710enterobarbRefChem:921191Antilon1,3-Bis(methoxymethyl)phenobarbital1,3-Bis(methoxymethyl)-5-ethyl-5-phenylbarbituric acid
Database identifiers
- CAS
27511-99-5- PubChem CID
- 33925
- DTXSID
DTXSID9045710- ChEMBL
CHEMBL327407- ChEBI
CHEBI:135366- UNII
- 432SI047GA
- Nikkaji
- J10.732H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 116 · 116-118°C
- form
- Solid
- color
- Crystalline
- FDA UNII
- 432 SI047GA · 432SI047GA
- Toxicity
- 50 in · LD50 in mice: 470 mg/kg orally (Vida, Hooker)
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 in mice: 470 mg/kg orally (Vida, Hooker)
Chemistry & industry
Applications
UsesControlled substance (depressant). An alkoxymethyl derivative of Phenobarbital, reported to have little or no hypnotic activity. Anticonvulsant
Additional notes
DefinitionChEBI: Eterobarb is a member of barbiturates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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