| CAS No. | 89889-80-5 |
| Molecular Formula | C17H17ClN4O5 |
| Molecular Weight | 392.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
6-(4-Chlorophenyl)-1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one (CAS 89889-80-5), molecular formula C17H17ClN4O5 and molecular weight 392.79 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-(4-Chlorophenyl)-1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-methyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one (C17H17ClN4O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 392.79 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C17H17ClN4O5 |
| Molecular Weight | 392.79 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |