Vinylbital
Basic information
- CAS
2430-49-1- Standard SMILES
C=CC1(C(C)CCC)C(=O)NC(=O)NC1=O- InChIKey
KGKJZEKQJQQOTD-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Overview
Vinylbital is a member of barbiturates.
Names & identifiers
- Preferred name
- Vinylbital
- IUPAC
- 5-ethenyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- vinylbital
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
VinylbitalVinylbitoneButylvinalSpedaVinylbitalum2430-49-1VinilbitalOptanoxVinymalJD-96Butyvinyl3W58ITX06Q
Show more names
vinylbital USP/EP/BPKGKJZEKQJQQOTD-UHFFFAOYSA-N5-(1-methylbutyl)-5-vinyl-barbituric acid5-ethenyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione5-Ethenyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethenyl-5-(1-methylbutyl)-
5-VINYL-5-(1-METHYLBUTYL)BARBITURIC ACID5-Ethenyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID508629385-ethenyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione5-Ethenyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimid inetrioneRefChem:901944DTXCID80811636N05CA08
Database identifiers
- CAS
2430-49-1、5767-33-9、5821-16-9- PubChem CID
- 72135
- DTXSID
DTXSID50862938- ChEMBL
CHEMBL2105552- ChEBI
CHEBI:134922- UNII
- 3J2D3OVU7O、3W58ITX06Q、KI0U0LRM1V
- EC Number
- 219-395-8
- Nikkaji
- J7.893J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
Pharmaceuticals -> Barbiturates
Physicochemical properties
- Melting point
- 90 · 90-91.5°
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 7.53 · 7.53±0.10(Predicted)
- form
- Solid
- color
- Off-White to Pale Beige
- FDA UNII
- 3 W58ITX06Q · 3W58ITX06Q
- ATC code
- 5 CA08 · N05CA08
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Pharmacology
ATC Code
N - Nervous system
QN - Nervous system
Applications
Uses5-Vinyl-5-(1-methylbutyl)barbituric Acid is a dervative of Barbituric acid. All of the barbituric acid derivatives which have been reported to have pronounced hypnotic activity are disubstituted in the 5-position.
Additional notes
DefinitionChEBI: Vinylbital is a member of barbiturates.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…