5-(2-((Aminocarbonyl)oxy)ethyl)-5-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
960-05-4- Standard SMILES
CCCCC1(CCOC(N)=O)C(=O)NC(=O)NC1=O- InChIKey
ZWGPHQZXAPWKOV-UHFFFAOYSA-N- Molecular formula
- C11H17N3O5
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.11682065
Overview
Carbubarb is a member of barbiturates.
Names & identifiers
- Preferred name
- 5-(2-((Aminocarbonyl)oxy)ethyl)-5-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamate
- English name
- Carbubarb
- Molecular formula
- C11H17N3O5
- Molecular weight
- 0
Names & synonyms
CarbubarbCarbubarbitalTylemalumCarbubarbeCarbubarbo960-05-4CarbubarbumSIW4YR11STDTXSID70242076RefChem:1072360DTXCID701645675-(2-((Aminocarbonyl)oxy)ethyl)-5-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Show more names
5-[2-[(Aminocarbonyl)oxy]ethyl]-5-butylbarbituric acid5-butyl-5-(2-carbamoyloxy-ethyl)-pyrimidine-2,4,6-trionecarbamic acid 2-(5-butyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethyl ester
Carbubarb [INN]2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamateNogexanCarbubarbe [INN-French]Carbubarbum [INN-Latin]Carbubarbo [INN-Spanish]5-Butyl-5-carbamoyloxyethylbarbituric acidUNII-SIW4YR11ST
Database identifiers
- CAS
960-05-4- PubChem CID
- 13743
- DTXSID
DTXSID70242076- ChEMBL
CHEMBL2104020- ChEBI
CHEBI:135116
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 192 · 192-194°
- FDA UNII
- 4 YR11ST · SIW4YR11ST
- Toxicity
- 50 s.c · LD50 s.c. in mice: 1.4 g/kg (FR M2633)
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 s.c. in mice: 1.4 g/kg (FR M2633)
Chemistry & industry
Additional notes
DefinitionChEBI: Carbubarb is a member of barbiturates.
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Compound notes
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