[1-Alpha,2-Beta(1′S*,2′R*)]-2,2′-[1,5-Pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium Dibenzenesulfonate CAS 96946-54-2
| CAS No. | 96946-54-2 |
| Molecular Formula | C53H72N2O12 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 1086.32 g/mol gives [1-Alpha,2-Beta(1′S*,2′R*)]-2,2′-[1,5-Pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium Dibenzenesulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies [1-Alpha,2-Beta(1′S*,2′R*)]-2,2′-[1,5-Pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium Dibenzenesulfonate (CAS 96946-54-2), a certified reference material (molecular formula C53H72N2O12C6H5O3S, MW 1086.32 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, [1-Alpha,2-Beta(1′S*,2′R*)]-2,2′-[1,5-Pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium Dibenzenesulfonate is typically pale yellow to yellow amorphous powder. Its solid-state physicochemical attributes — including a molecular weight of 1086.32 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C53H72N2O12 2*C6H5O3S |
| Molecular Weight | 1086.32 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) | 22.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
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- 1-(Chloromethoxy)-2-(2-methoxyethoxy)ethane (CAS 102331-27-1)
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- (Meso-1R,5S,6S)-tert-butyl 6-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CAS 1330765-38-2)
- Lifitegrast Impurity 32 (CAS CATO-C4X-240932)
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Why CATO?
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