Regadenoson
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
Molecular Identity
Regadenoson
1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide
PubChem CID: 219024
Regadenoson is a purine nucleoside.
2D Structure
Properties
C15H18N8O5
Molecular Formula
390.35
Molecular Weight
g/mol
390.1400
Exact Mass
Da
-1.5
XLogP
Drug-like (Lipinski: < 5)
186
TPSA
May have limited oral absorption
5
H-Bond Donors
10
H-Bond Acceptors
587
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Regadenoson313348-27-5LexiscanRapiscanRegadenoson anhydrousCVT-3146CVT 31467AXV542LZ4DTXSID4057712DTXCID5031501Adenosine, 2-[4-[(methylamino)carbonyl]-1H-pyrazol-1-yl]-(1-(9-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl)pyrazol-4-yl)-N-methylcarboxamide1-{6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N-methyl-1H-pyrazole-4-carboxamideAdenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-regadenosonum
Data from PubChem (NCBI)
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