Basic information
- CAS
50309-45-0- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(CN2CCOCC2)C1=O.Cl- InChIKey
OHAZESKFCAUFBA-UHFFFAOYSA-N- Molecular formula
- C17H22ClN3O4
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1298839
Names & identifiers
- Preferred name
- Barbituric acid, 5-ethyl-1-(morpholinomethyl)-5-phenyl-, hydrochloride
- IUPAC
- 5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione;hydrochloride
- English name
- 1-(Morpholinomethyl)phenobarbital hydrochloride
- Molecular formula
- C17H22ClN3O4
- Molecular weight
- 367.82728
Names & synonyms
50309-45-01-(Morpholinomethyl)phenobarbital hydrochloride5-Ethyl-1-(morpholinomethyl)-5-phenylbarbituric acid hydrochlorideBARBITURIC ACID, 5-ETHYL-1-(MORPHOLINOMETHYL)-5-PHENYL-, HYDROCHLORIDERefChem:3208015-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione;hydrochlorideDTXSID60964593AKOS0305154795-ethyl-1-(morpholinomethyl)-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione hydrochloride5-Ethyl-6-hydroxy-3-[(morpholin-4-yl)methyl]-5-phenylpyrimidine-2,4(3H,5H)-dione--hydrogen chloride (1/1)
Database identifiers
- CAS
50309-45-0- PubChem CID
- 39597
- DTXSID
DTXSID60964593
Properties
Computed structural properties
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 512
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…