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About This Item
Empirical Formula (Hill Notation):
C17H20N4O5S
CAS Number:
Molecular Weight:
392.43
MDL number:
UNSPSC Code:
12352202
PubChem Substance ID:
NACRES:
NA.77
Recommended Products
form
powder
Quality Level
color
white
solubility
DMSO: 5 mg/mL, clear
SMILES string
CCCN1C(=O)N(CCC)c2nc([nH]c2C1=O)-c3ccc(cc3)S(O)(=O)=O
InChI
1S/C17H20N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)(H,24,25,26)
InChI key
IWALGNIFYOBRKC-UHFFFAOYSA-N
Gene Information
human ... ADORA1(134), ADORA2B(136), ADORA3(140)
rat ... Adora1(29290), Adora2a(25369), Adora3(25370)
Biochem/physiol Actions
Water soluble adenosine receptor antagonist with slight selectivity for A1 receptors.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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