Basic information
- CAS
1400-48-2- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.CCC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
YHRUERMOPBDCFD-KYNMMFKBSA-N- Molecular formula
- C32H36N4O5
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.26857026
Names & identifiers
- Preferred name
- Phenobarbital mixture with quinidine
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- phenobarbital quinidine
- Molecular formula
- C32H36N4O5
- Molecular weight
- 556.66
Names & synonyms
Quinidine phenylethylbarbiturateQuinidine 5-ethyl 5-phenyl barbiturate2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, mixt. with (9S)-6'-methylcinchonan-9-olRefChem:202593Phenobarbital quinidine1400-48-2Natisedine (TN)DTXSID101362430Cinchonan-9-ol, 6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneD08459
Database identifiers
- CAS
1400-48-2- PubChem CID
- 64644
- DTXSID
DTXSID101362430
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 796
Physicochemical properties
- FDA UNII
- 9 K2OBZ2 · KSX9K2OBZ2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…