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: CNC(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)NIsomeric SMILES
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)NSynonyms(20)
Regadenoson313348-27-5RapiscanCVT-3146CVT 31461-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamideAdenosine, 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-methylcarboxamideAdenosine, 2-(4-((methylamino)carbonyl)-1H-pyrazol-1-yl)-CHEMBL39896951-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)purin-2-yl)-N-methylpyrazole-4-carboxamideRefChem:426699690-885-52XLN4Y044HADENOSINE, 2-(4-((METHYLAMINO)CARBONYL)-1H-PYRAZOL-1-YL)-, MONOHYDRATE
Data from PubChem (NCBI)
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Drug Network
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