AC1MIJF9
2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxyethyl pyridine-3-carboxylate
Also Known As: 1-(Theophyllinyl-7-methyenecarboxyloxy)-2-(nicotinoyl)ethane|7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-((3-pyridinylcarbonyl)oxy)ethyl ester|2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxyethyl pyridine-3-carboxylate|2-{[(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]oxy}ethyl pyridine-3-carboxylate
CAS: 61379-43-9
| Molecular Formula | C17H17N5O6 |
|---|---|
| Molecular Weight | 387.1179 g/mol |
| LogP | -0.7711 |
| Topological Polar Surface Area | 127.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.1179 |
| Monoisotopic Mass | 387.1179 |
| Heavy Atoms | 28 |
| Complexity | 1144.5398 |
Chemical Identifiers
| CAS Number | 61379-43-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCCOC(=O)C3=CN=CC=C3 |
Product Overview
AC1MIJF9 (CAS 61379-43-9), with molecular formula C17H17N5O6 and molecular weight 387.1179 g/mol. IUPAC: 2-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]oxyethyl pyridine-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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