Mirabegron Impurity 113 CAS 168897-09-4 (free base)
| CAS No. | 168897-09-4 (free base) |
| Molecular Formula | C16H18N2O |
| Molecular Weight | N/A |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Mirabegron Impurity 113 meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Mirabegron Impurity 113 (CAS 168897-09-4 (free base)) is a certified pharmaceutical impurity reference standard with the molecular formula C16H18N2OHCl and a molecular weight of 290.79 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, Mirabegron Impurity 113 is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 290.79 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.
Physical & Chemical Properties
| Molecular Formula | C16H18N2O HCl |
| Molecular Weight | 290.79 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Mirabegron Standards
- Mirabegron Impurity 73 (CAS 100-12-9)
- Mirabegron Impurity 40 (CAS 1154949-80-0)
- rac-Mirabegron-d5 (CAS 1215807-38-7)
- Mirabegron Impurity 147 (CAS 1310279-36-7)
- Mirabegron Impurity 32 (CAS 1310279-36-7 (free base))
- Mirabegron N-t-BOC Impurity (CAS 1329485-55-3)
- Mirabegron Impurity 139 (CAS 1330277-46-7)
- Mirabegron Impurity 62 (CAS 135365-07-0)
Recommended Standards
- LCZ-696 Impurity 32 (CAS CATO-C4X-169632)
- Vigabatrin Impurity 13 (CAS 1824506-31-1)
- Eltrombopag Impurity 155 (CAS CATO-C4X-1198155)
- 2-(Azepan-1-yl)pyrimidine-4-carboxylic acid (CAS 933686-68-1)
- L-748337 (CAS 244192-94-7)
- N-benzyl-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-amine (CAS 774555-89-4)
- 4-(1-phenylethoxy)benzoic acid (CAS 149609-89-2)
- (S)-2-(((benzyloxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid (CAS 921623-47-4)
- (1S,1'S,2R,2'R)-1,1'-Di-tert-butyl-7,7'-dimethoxy-2,2',3,3'-tetrahydro-1H,1'H-2,2'-biphosphindole (CAS 1477517-22-8)
- Tirzepatide Impurity 12 (CAS CATO-C4X-324012)
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