Upadacitinib Impurity 218 CAS 117718-83-9
| CAS No. | 117718-83-9 |
| Molecular Formula | C8H9BrN4 |
| Molecular Weight | 241.09 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, bromine substitution, Upadacitinib Impurity 218 is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 241.09 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.
Upadacitinib Impurity 218 (CAS 117718-83-9) is a certified pharmaceutical impurity reference standard with the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol.
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.
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 | C8H9BrN4 |
| Molecular Weight | 241.09 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | ≥95% |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
Related Upadacitinib Standards
- Upadacitinib Impurity 75 (CAS CATO-C4X-240575)
- Upadacitinib Impurity 187 (CAS CATO-C4X-2405187)
- Upadacitinib Impurity 129 (CAS CATO-C4X-2405129)
- Upadacitinib Impurity 122 (CAS CATO-C4X-2405122)
- Upadacitinib Impurity 188 (CAS CATO-C4X-2405188)
- Upadacitinib Impurity 11 (CAS 1708997-43-6)
- Upadacitinib Impurity 176 (CAS CATO-C4X-2405176)
- Upadacitinib Impurity 177 (CAS CATO-C4X-2405177)
Recommended Standards
- Thiotepa Impurity 4 (CAS CATO-C4X-21564)
- 3-Bromobenzo[b]thiophene-2-carbaldehyde (CAS 10135-00-9)
- 6-bromo-N-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CAS 951884-90-5)
- 3-Bromobenzo[b]thiophene-6-carbaldehyde (CAS 10135-02-1)
- Finerenone Impurity 278 (CAS CATO-C4X-2880278)
- Progesterone Impurity 75 (CAS 796-24-7)
- Phenylbutyrate EP Impurity B (CAS 529-34-0)
- (3-chloro-5-methyl-pyrazin-2-yl)methanamine (CAS 1211529-49-5)
- 3-(Tert-butyl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 1196104-00-3)
- 2-Bromo-5-(tributylstannyl)thiazole (CAS 1062589-73-4)
- 1-Acetyl-5-fluoro-3-methylpyrrolidin-2-one (CAS 246181-65-7)
- (4-Imino-1,4-dihydropyridin-3-yl)boronic acid hydrochloride (CAS 959904-53-1)
- 3-Amino-3-(4-(trifluoromethyl)phenyl)propan-1-ol hydrochloride (CAS 787615-24-1)
- Protein Kinase C? Peptide Substrate (CAS 120253-69-2)
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