6,8-dibromoimidazo[1,2-a]pyrazine

• ChemBase ID: 64657
• Molecular Formular: C6H3Br2N3
• Molecular Mass: 276.91612
• Monoisotopic Mass: 274.86937111
• SMILES: c1(nc(c2n(c1)ccn2)Br)Br
• Canonical SMILES: Brc1cn2ccnc2c(n1)Br
• InChI: InChI=1S/C6H3Br2N3/c7-4-3-11-2-1-9-6(11)5(8)10-4/h1-3H
• InChIKey: UQCZZGIPIMJBCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dibromoimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6,8-dibromoimidazo[1,2-a]pyrazine
• Synonyms: 6,8-Dibromoimidazo[1,2-a]pyrazine; 6,8-Dibromoimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 63744-22-9
• MDL Number: MFCD08460056
• PubChem SID: 162030396
• PubChem CID: 15025843

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.4898095
• LogD (pH = 7.4): 1.4904186
• Log P: 1.4904263
• Molar Refractivity: 50.7095 cm^3
• Polarizability: 18.584106 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 2.038

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: >95%; 95%; 95+%

DETAILS

Toronto Research Chemicals - D425495

6,8-Dibromoimidazo[1,2-a]pyrazine is a imidazopyrazine derivative with uterine-relaxing, antibronchospastic, and cardiac-stimulating properties. 6,8-Dibromoimidazo[1,2-a]pyrazine also displays theophylline-like properties.

REFERENCES

• Levallois, C. et al.: Biochem. Pharmacol., 33, 2253 (1984)
• Sablayrolles, C. et al.: J. Med. Chem., 27, 206 (1984)