Acetyl brimonidine
Basic information
- CAS
1158184-23-6- Standard SMILES
CC(=O)N1CCN=C1Nc1ccc2nccnc2c1Br- InChIKey
WTOKTXQRMMLESY-UHFFFAOYSA-N- Molecular formula
- C13H12BrN5O
- Average molar mass
- 334.17 g/mol
- Monoisotopic mass
- 333.02252
Names & identifiers
- Preferred name
- Acetyl brimonidine
- IUPAC
- 1-[2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
- English name
- Ethanone, 1-[2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydro-1H-imidazol-1-yl]-
- Molecular formula
- C13H12BrN5O
- Molecular weight
- 334.17
Names & synonyms
Acetyl brimonidine1158184-23-6CXR5M8PXL6UNII-CXR5M8PXL61-(2-((5-Bromoquinoxalin-6-yl)amino)-4,5-dihydro-1H-imidazol-1-yl)ethan-1-one1-(2-((5-Bromo-6-quinoxalinyl)amino)-4,5-dihydro-1H-imidazol-1-yl)ethanoneEthanone, 1-(2-((5-bromo-6-quinoxalinyl)amino)-4,5-dihydro-1H-imidazol-1-yl)-1-[2-[(5-Bromo-6-quinoxalinyl)amino]-4,5-dihydro-1H-imidazol-1-yl]ethanoneEthanone, 1-[2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydro-1H-imidazol-1-yl]-Brimonidine Impurity N3Acetyl Brimonidine; Ethanone, 1-[2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydro-1H-imidazol-1-yl]-; 1-[2-[(5-Bromoquinoxalin-6-yl)amino]-4,5-dihydro-1H-imidazol-1-yl]ethanone; 5-Bromo-N-(1-acetylimidazolidin-2-ylidene)quinoxalin-6-amineAcetyl Brimonidine Impurity
Database identifiers
- CAS
1158184-23-6- PubChem CID
- 129011966
- UNII
- CXR5M8PXL6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- FDA UNII
- 5 M8PXL6 · CXR5M8PXL6
Chemistry & industry
Applications
UsesAcetyl Brimonidine is used as a reagent in the synthetic preparation of Brimonidine derivatives.Brimonidine is an Antiglaucoma drug.
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Compound notes
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