Basic information
- CAS
52-31-3- Standard SMILES
CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O- InChIKey
WTYGAUXICFETTC-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Overview
Cyclobarbital is a member of barbiturates.
Names & identifiers
- Preferred name
- Cyclobarbital
- IUPAC
- 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
CYCLOBARBITALCyclobarbitoneHexemalTetrahydrophenobarbital52-31-3PhanodornCiclobarbitalCyclobarbitonumCyclobarbitalum5-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid0M8A98AD9HDTXSID9022865
Show more names
2,4,6-(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-5-(cyclohex-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trioneCyclobarbital-CalciumRefChem:580201DTXCID602865N05CA10200-138-3Ethylhexabital
Database identifiers
- CAS
52-31-3- PubChem CID
- 5838
- DTXSID
DTXSID9022865- ChEMBL
CHEMBL268164- ChEBI
CHEBI:134957- UNII
- 0M8A98AD9H
- EC Number
- 200-138-3
- Nikkaji
- J8.597I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
Pharmaceuticals -> Barbiturates
SpringerMaterials PropertiesCrystal structure
LogP1.77
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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