Regadenoson

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Properties Simple | Detailed

Formula C15H18N8O5
IUPAC Name 1-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-2-yl]-n-methyl-pyrazol-1-ium-4-ide-4-carboxamide
Molecular Mass 390.354 g·mol−1
Heat of Formation -402.0 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 420.37 Å 3
Surface Area 372.52 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(9-(3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-6-aminopurin-2-yl)pyrazol-4-yl)-n-methylcarboxamide
  • 1-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-purinyl]-n-methyl-4-pyrazolecarboxamide
  • 1-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-n-methyl-pyrazole-4-carboxamide
  • 1-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-n-methylpyrazole-4-carboxamide
  • 1-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]-n-methyl-pyrazole-4-carboxamide
  • 1-[6-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-2-yl]-n-methyl-pyrazole-4-carboxamide
  • adenosine, 2-(4-((methylamino)carbonyl)-1h-pyrazol-1-yl)-
  • cvt 3146
  • cvt-3146
  • d05711
  • regadenoson (usan)
CAS Number(s)
  • 313348-27-5
InChIKey LZPZPHGJDAGEJZ-AKAIJSEGSA-N
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