HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71270364Generated: October 27, 2026
2-(4-Methoxycarbonylpyrazol-1-yl)adenosine
Regadenoson Impurity 3 · 2-[4-(Methoxycarbonyl)-1H-pyrazol-1-yl]adenosine · 1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-, methyl ester · methyl 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate · ethyl 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-methoxy-9H-purin-2-yl)-1H-pyrazole-4-carboxylate
https://huagongshe.com/en/chemical/71270364
Identifiers & Physical Properties
| CAS No. | 1423073-21-5 |
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| Molecular formula | C15H17N7O6 |
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| Average molar mass | 391.34 g/mol |
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| SMILES | COC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |
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| InChIKey | ADMYVFYYALQDPK-QYVSTXNMSA-N |
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| PubChem CID | 71270364 |
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| EC No. | 937-145-2 |
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Chemical & Physical Properties
| XLogP | -0.9 |
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| Topological polar surface area | 184 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 587 |
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| Boiling point | 832.2±75.0 °C(Predicted) |
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| Density | 1.97±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 13.07±0.70(Predicted) |
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| FDA UNII | CJ6K5C4JMB |
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Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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