(2R,3S)-2,3-dihydroxybutanedioic acid; 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

• ChemBase ID: 313122
• Molecular Formular: C15H16BrN5O6
• Molecular Mass: 442.22144
• Monoisotopic Mass: 441.02839526
• SMILES: c1cnc2c(n1)c(c(cc2)NC1=NCCN1)Br.[C@@H]([C@H](C(=O)O)O)(O)C(=O)O
• Canonical SMILES: Brc1c(ccc2c1nccn2)NC1=NCCN1.OC(=O)[C@H]([C@H](C(=O)O)O)O
• InChI: InChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2+
• InChIKey: QZHBYNSSDLTCRG-YKWZRPGSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-2,3-dihydroxybutanedioic acid; 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
• IUPAC Traditional name: (-)-tartaric acid; brimonidine
• Synonyms: Brimonidine Tartrate

Database IDs

• CAS Number: 70359-46-5

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.8992662
• LogD (pH = 7.4): 0.41908175
• Log P: 1.3715845
• Molar Refractivity: 68.4944 cm^3
• Polarizability: 26.612398 Å^3
• Polar Surface Area: 62.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Tartrate