(4S,4AS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide trihydrate CAS 6416-04-2
| CAS No. | 6416-04-2 |
| Molecular Formula | C22H24N2O8 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(4S,4AS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide trihydrate (CAS 6416-04-2), molecular formula C22H24N2O8H2O and molecular weight 462.45 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C22H24N2O8H2O, (4S,4AS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide trihydrate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 462.45 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C22H24N2O8 3*H2O |
| Molecular Weight | 462.45 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 2 |
Recommended Standards
- 6-bromo-5-fluoro-1,2-dihydroquinazolin-2-one (CAS 1036756-06-5)
- (3-Methoxy-3-oxopropyl)boronic acid (CAS 1290145-64-0)
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- 4,5-Dibromo-N-(pyridin-2-yl)thiophene-2-carboxamide (CAS 1088166-21-5)
- (3-(((Benzyloxy)carbonyl)amino)-5-fluorophenyl)boronic acid (CAS 874290-61-6)
- Cyclohept-1-ene-1-carbaldehyde (CAS 6140-67-6)
- Ganoderal A (CAS 104700-98-3)
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- 2-Chloro-6-(difluoromethoxy)benzonitrile (CAS 1261618-35-2)
- D-Gln19-Tirzepatide (CAS CATO-CPTD788915)
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