Bucolome
Basic information
- CAS
841-73-6- Standard SMILES
CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
DVEQCIBLXRSYPH-UHFFFAOYSA-N- Molecular formula
- C14H22N2O3
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.16304257
Overview
5-butyl-1-cyclohexylbarbituric acid is a member of barbiturates.
Names & identifiers
- Preferred name
- Bucolome
- IUPAC
- 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
- English name
- bucolome
- Molecular formula
- C14H22N2O3
- Molecular weight
- 266.34
Names & synonyms
bucolome841-73-6ParamidineParamidinBucolom5-Butyl-1-cyclohexylbarbituric acidBucolomoBucolomum5-Butyl-1-cyclohexyl-2,4,6(1H,3H,5H)-pyrimidinetrioneDTXSID40488541-cyclohexyl-5-butylbarbituric acidBARBITURIC ACID, 5-BUTYL-1-CYCLOHEXYL-
Show more names
Butymidinbucolome USP/EP/BPBucolomum [INN-Latin]Bucolome, 10 mM in DMSO5-n-Butyl-1-cyclohexylbarbituric acid
9T08RAL1742,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-1-cyclohexyl-5-butyl-1-cyclohexylpyrimidine-2,4,6(1H,3H,5H)-trioneDTXCID1028780CHEBI:31314RefChem:9176892,4,6(1H,3H,5H)-Pyrimidnetrione, 5-butyl-1-cyclohexyl-212-666-1
Database identifiers
- CAS
841-73-6- PubChem CID
- 2461
- DTXSID
DTXSID4048854- ChEMBL
CHEMBL2106136- ChEBI
CHEBI:31314- UNII
- 9T08RAL174
- EC Number
- 212-666-1
- Nikkaji
- J3.335I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 84 ° · 84°
- Boiling point
- 0.8 · bp0.8 185-187°
- Density
- 1.0807 · 1.0807 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- pka
- 5.71 · 5.71±0.40(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 9 T08RAL174 · 9T08RAL174
Chemistry & industry
Applications
UsesBucolome is a CYP2C9 inhibitor, used as an uricosuric agent or anti-inflammatory agent.
Additional notes
DefinitionChEBI: 5-butyl-1-cyclohexylbarbituric acid is a member of barbiturates.
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Related reactions
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Compound notes
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