Regadenoson Impurity 2

cas: 313348-31-1 — see every product listed under this CAS number, including other names

Regadenoson Impurity 2 (CAS 313348-31-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-R050702
cas313348-31-1
sizeon request
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Structural formula: {0} (CAS {1})

1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide (CAS 313348-31-1) is a chemical compound with the molecular formula C16H20N8O5 and a molecular weight of 404.38 g/mol. IUPAC name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide. InChIKey: HGPFIABPLAGCNQ-ORXWAGORSA-N.

Identity
Molecular formulaC16H20N8O5
Molecular weight404.38 g/mol
IUPAC name1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide
InChIKeyHGPFIABPLAGCNQ-ORXWAGORSA-N
SMILESCN(C)C(=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

Computed by PubChem (NCBI)

Synonyms: Regadenoson Impurity 2, 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine, Regadenoson Impurity N9, HGPFIABPLAGCNQ-ORXWAGORSA-N
Isomers (same molecular formula)
1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)purin-2-yl]-N-methylpyrazole-4-carboxamide C16H20N8O5

Also listed as

2-(4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl)adenosine TRC CAS 313348-31-1