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About This Item
Empirical Formula (Hill Notation):
C10H6N4O2
CAS Number:
Molecular Weight:
214.18
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
form
solid
color
yellow
solubility
DMSO: 11 mg/mL, dilute aqueous base: 4 mg/mL, H2O: insoluble, dilute aqueous acid: insoluble, ethanol: insoluble
SMILES string
O=C1NC(=O)c2nc3ccccc3nc2N1
InChI
1S/C10H6N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,12,13,14,15,16)
InChI key
HAUGRYOERYOXHX-UHFFFAOYSA-N
Gene Information
human ... ADORA1(134), ADORA2A(135), ADORA2B(136)
Biochem/physiol Actions
Selective A2B adenosine receptor antagonist.
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
188.6 °F - Solvent
flash_point_c
87 °C - Solvent
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