Basic information
- CAS
22173-64-4- Standard SMILES
CCC1(CC=C2CCCCC2)C(=O)NC(=O)NC1=O- InChIKey
AVSLJNHOEKBNAF-UHFFFAOYSA-N- Molecular formula
- C14H20N2O3
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.1473925
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 5-(2-Cyclohexylideneethyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-(2-cyclohexylideneethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate
- Molecular weight
- 0
Names & synonyms
CHEB5-(2-Cyclohexylidene-ethyl)-5-ethylbarbiturate22173-64-45-(2-Cyclohexylideneethyl)-5-ethylbarbituric acidBTE6MU3YBGDTXSID601767105-(2-Cyclohexylideneethyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:101605DTXCID8099201BRN 02503125-(2-cyclohexylideneethyl)-5-ethyl-1,3-diazinane-2,4,6-trione5-(gamma,gamma-Cyclopentamethyleneallyl)-5-ethyl barbituric acid
Show more names
Acide 5-(gamma,gamma-cyclopentamethylene-allyl) 5-ethyl barbiturique [French]CHEMBL44981SCHEMBL12648357BARBITURIC ACID, 5-(2-CYCLOHEXYLIDENEETHYL)-5-ETHYL-Acide 5-(gamma,gamma-cyclopentamethylene-allyl) 5-ethyl barbiturique2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-cyclohexylideneethyl)-5-ethyl-5-(2-cyclohexylideneethyl)-5-ethyl barbituric acid
Database identifiers
- CAS
22173-64-4- PubChem CID
- 30964
- DTXSID
DTXSID60176710- ChEMBL
CHEMBL44981- UNII
- BTE6MU3YBG
- Nikkaji
- J22.172D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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