Basic information
- CAS
35425-83-3- Standard SMILES
C[N+]12CCC(c3ccccc3)(CC1)C(=O)C2.[Br-]- InChIKey
YNUZUBWTAHVOFU-UHFFFAOYSA-M- Molecular formula
- C14H18BrNO
- Average molar mass
- 296.2 g/mol
- Monoisotopic mass
- 295.05718
Names & identifiers
- Preferred name
- Quinuclium Bromide Anhydrous
- IUPAC
- 1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one bromide
- English name
- Quinuclium bromide
- Molecular formula
- C14H18NO.Br
- Molecular weight
- 296.2
Names & synonyms
Quinuclium bromide anhydrous35425-83-37UNN2A02PE1-Azoniabicyclo(2.2.2)octane, 1-methyl-3-oxo-4-phenyl-, bromideRefChem:1097940Quinuclium bromide [INN]Bromuro de quinuclio [Spanish]MA 540MX 540UNII-7UNN2A02PE1-Methyl-3-oxo-4-phenylquinuclidinium bromide1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-one bromide
Show more names
MA-540Bromuro de quinuclio1-Methyl-3-keto-4-phenylquinuclidinium bromide1-Methyl-3-oxo-4-phenyl-1-azoniabicyclo(2.2.2)octane, bromide
Quinuclidinium, 1-methyl-3-oxo-4-phenyl-, bromideCHEMBL2107012SCHEMBL29364649DTXSID20956838Q215471891-METHYL-3-OXO-4-PHENYL-1-AZABICYCLO[2.2.2]OCTAN-1-IUM BROMIDE
Database identifiers
- CAS
35425-83-3- PubChem CID
- 47458
- DTXSID
DTXSID20956838- ChEMBL
CHEMBL2107012- UNII
- 7UNN2A02PE
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 UNN2A02PE · 7UNN2A02PE
- Toxicity
- 50 oral · LD50 oral in rat: 1475mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 1475mg/kg
Chemistry & industry
Applications
UsesAntihypertensive.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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