Basic information
- CAS
79025-08-4- Standard SMILES
CCC1(c2ccc(O)cc2)C(=O)NC(=O)N(C)C1=O- InChIKey
ARGUVULFWSAUDV-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Overview
hydroxylation metabolite of mephobarbital
Names & identifiers
- Preferred name
- 4-Hydroxymephobarbital
- IUPAC
- 5-ethyl-5-(4-hydroxyphenyl)-1-methyl-1,3-diazinane-2,4,6-trione
- English name
- 4-hydroxymephobarbital
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26126
Names & synonyms
4-Hydroxymephobarbital2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-hydroxyphenyl)-1-methyl-DBB4QT72SN79025-08-44-OH-Mephobarbital5-Ethyl-5-(4-hydroxyphenyl)-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:993425-ethyl-5-(4-hydroxyphenyl)-1-methyl-1,3-diazinane-2,4,6-trioneUNII-DBB4QT72SNDTXSID801000201NS001160491,3-dihydroxy-2-(hydroxymethyl)propan-2-aminiumacetat
Show more names
5-Ethyl-6-hydroxy-5-(4-hydroxyphenyl)-3-methylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
79025-08-4- PubChem CID
- 133152
- DTXSID
DTXSID801000201- UNII
- DBB4QT72SN
- Nikkaji
- J292.848E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- FDA UNII
- 4 QT72SN · DBB4QT72SN
Chemistry & industry
Pharmacology
Metabolism/Metabolites4-hydroxymephobarbital is a known human metabolite of (s)-mephobarbital.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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