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About This Item
Empirical Formula (Hill Notation):
C12H16N4O2
CAS Number:
Molecular Weight:
248.28
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
Quality Level
assay
≥98% (HPLC)
form
powder
color
white to off-white
solubility
H2O: slightly soluble <0.28 mg/mL
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.77 mg/mL
DMSO: ~16 mg/mL at 60 °C
0.1 M NaOH: soluble
SMILES string
CN1C(=O)N(C)c2nc([nH]c2C1=O)C3CCCC3
InChI
1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
InChI key
SCVHFRLUNIOSGI-UHFFFAOYSA-N
Gene Information
human ... ADORA1(134)
Biochem/physiol Actions
Selective A1 adenosine receptor antagonist.
Features and Benefits
This compound is featured on the Adenosine Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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