1-(((6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)imidazo[1,2-b]pyridazin-1-ium chloride CAS 113501-28-3
| CAS No. | 113501-28-3 |
| Molecular Formula | C14H14N5O3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(((6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)imidazo[1,2-b]pyridazin-1-ium chloride is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-(((6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)imidazo[1,2-b]pyridazin-1-ium chloride (CAS 113501-28-3), a certified reference material (molecular formula C14H14N5O3SCl, MW 367.81 g/mol) for analytical method development and quality control.
1-(((6R,7R)-7-Amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)imidazo[1,2-b]pyridazin-1-ium chloride (C14H14N5O3SCl) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C14H14N5O3S Cl |
| Molecular Weight | 367.81 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Recommended Standards
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- 1-(3-Aminothieno[2,3-b]pyridin-2-yl)ethan-1-one (CAS 52505-41-6)
- n-(2-Ethylhexyl)tetrahydro-2h-pyran-4-amine (CAS 1157011-80-7)
- 2-(7-methyl-2-phenyl-1H-indol-3-yl)acetic acid (CAS 93315-77-6)
- Betaxolol Impurity 15 (CAS 87549-35-7)
- Peptide T (CAS 106362-32-7)
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