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Regadenoson

CAT: 1410-M14005-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M14005-05Size:25 mg
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Description
Regadenoson is an adenosine derivative and selective A2A adenosine receptor agonist with coronary vasodilating activity.
CAS Number
313348-27-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
390.35
Molecular Formula
C15H18N8O5
Notes
Research use only, not for human use.
Receptor
A2A

Chemical Information

Regadenoson

Regadenoson is a purine nucleoside.

CAS Number313348-27-5
PubChem CID219024
IUPAC Name1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
Molecular FormulaC15H18N8O5
Molecular Weight390.35
XLogP-1.5
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity587
SMILES
CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI
InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1
InChIKey
LZPZPHGJDAGEJZ-AKAIJSEGSA-N
Chemical Structure
2D Structure
2D structure of Regadenoson
CAS: 313348-27-5
CID: 219024
Formula: C15H18N8O5
MW: 390.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.35
XLogP3-1.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass390.14001570
Monoisotopic Mass390.14001570
Topological Polar Surface Area186 Ų
Heavy Atom Count28
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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B5904-5.1Regadenoson
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T26054Regadenoson hydrate
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A12541-500Regadenoson 500mg
A12541-25Regadenoson 25mg

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