Sodium 4-(3,6-bis(diethylamino)xanthylium-9-yl)isophthalate chloride CAS 37299-86-8
| CAS No. | 37299-86-8 |
| Molecular Formula | C29H29N2O5 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Sodium 4-(3,6-bis(diethylamino)xanthylium-9-yl)isophthalate chloride is closely related to a salt form, a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Sodium 4-(3,6-bis(diethylamino)xanthylium-9-yl)isophthalate chloride (CAS 37299-86-8) is a high-purity analytical reference standard with the molecular formula C29H29N2O5ClNa and a molecular weight of 544.00 g/mol.
Structurally, Sodium 4-(3,6-bis(diethylamino)xanthylium-9-yl)isophthalate chloride (C29H29N2O5ClNa) contains a salt form, a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 544.00 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C29H29N2O5 Cl 2*Na |
| Molecular Weight | 544.00 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1967 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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