Basic information
- CAS
4241-40-1- Standard SMILES
CCC1(C(C)CC(C)O)C(=O)NC(=O)NC1=O- InChIKey
XYOPMDJVSWQZTM-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.12665706
Overview
Hydroxypentobarbital is a pyrimidone.
Names & identifiers
- Preferred name
- 3'-Hydroxypentobarbital
- IUPAC
- 5-ethyl-5-(4-hydroxypentan-2-yl)-1,3-diazinane-2,4,6-trione
- English name
- 3'-hydroxypentobarbital
- Molecular formula
- C11H18N2O4
- Molecular weight
- 242.27162
Names & synonyms
3'-Hydroxypentobarbital4241-40-1RefChem:910471Hydroxypentobarbital5-ethyl-5-(4-hydroxypentan-2-yl)-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-Barbituric acid, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-Hydroxypentobarbital (1mg/ml in Acetonitrile)Hydroxypentobarbitone3'-HydroxypentobarbitoneAI3-61884SCHEMBL2730516
Show more names
DTXSID90874257CHEBI:190046XYOPMDJVSWQZTM-UHFFFAOYSA-NEAA24140NS00113981Hydroxypentobarbital (1 mg/ml in Acetonitrile)5-ethyl-5(3'-hydroxy-1'-methylbutyl)barbituric acid5-ethyl-5-(3-hydroxy-1-methylbutyl)-barbituric acid
Database identifiers
- CAS
4241-40-1- PubChem CID
- 94288
- DTXSID
DTXSID90874257- ChEBI
CHEBI:190046- Nikkaji
- J47.298K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
LogP0.35
Physicochemical properties
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesHydroxypentobarbital is a metabolite of pentobarbital (P275995), which is a narcotic and sedative barbiturate drug formerly used to relieve insomnia.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Hydroxypentobarbital is a pyrimidone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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