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63744-22-9 molecular structure
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6,8-dibromoimidazo[1,2-a]pyrazine

ChemBase ID: 64657
Molecular Formular: C6H3Br2N3
Molecular Mass: 276.91612
Monoisotopic Mass: 274.86937111
SMILES and InChIs

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

Cite this record

CBID:64657 http://www.chembase.cn/molecule-64657.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
63744-22-9
MDL Number
MFCD08460056
PubChem SID
162030396
PubChem CID
15025843

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 1.4898095  LogD (pH = 7.4) 1.4904186 
Log P 1.4904263  Molar Refractivity 50.7095 cm3
Polarizability 18.584106 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
152 - 154°C expand Show data source
Hydrophobicity(logP)
2.038 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D425495 external link
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

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Levallois, C. et al.: Biochem. Pharmacol., 33, 2253 (1984)
  • • Sablayrolles, C. et al.: J. Med. Chem., 27, 206 (1984)
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PATENTS

PATENTS

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INTERNET

INTERNET

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