| CAS No. | 498555-58-1 |
| Molecular Formula | C33H42N6O13 |
| Molecular Weight | 730.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
(3S,6S)-N-((1H-1,2,3-Triazol-5-yl)methyl)-3-((2S,3S)-2-(2-(benzo[b]thiophen-3-yl)acetamido)-3-methylpentanamido)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxamide (CAS 498555-58-1) is a high-purity analytical reference standard with the molecular formula C33H42N6O13 and a molecular weight of 730.72 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, (3S,6S)-N-((1H-1,2,3-Triazol-5-yl)methyl)-3-((2S,3S)-2-(2-(benzo[b]thiophen-3-yl)acetamido)-3-methylpentanamido)-4-oxo-1,2,3,4,6,7-hexahydroazepino[3,2,1-hi]indole-6-carboxamide is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 730.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C33H42N6O13 |
| Molecular Weight | 730.72 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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 |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 6 |