| CAS Number | 182627-95-8 |
| Catalog Number | AG00AE61(AGN-PC-0QCAHU) |
| Chemical Name | 5-BROMO-6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO]-1,4-DIHYDRO-2,3-QUINOXALINEDIONE |
| IUPAC Name | 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione |
| InChI | InChI=1S/C11H10BrN5O2/c12-7-5(16-11-13-3-4-14-11)1-2-6-8(7)17-10(19)9(18)15-6/h1-2H,3-4H2,(H,15,18)(H,17,19)(H2,13,14,16) |
| InChI Key | HCKOHBASICGZOR-UHFFFAOYSA-N |
| MDL Number | MFCD31563109 |
| Molecular Formula | C11H10BrN5O2 |
| Molecular Weight | 324.1334 |
| SMILES | O=C1NC2=C(C(Br)=C(NC3=NCCN3)C=C2)NC1=O |
| Synonyms | Brimonidine Tartrate Impurity 1,
182627-95-8,
Brimonidine-2,3-dione,
5-Bromo-6-(2-imidazoline-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.138g/mol |
| Monoisotopic Mass | 323.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number