Upadacitinib Impurity 94 CAS CATO-C4X-240594
| CAS No. | CATO-C4X-240594 |
| Molecular Formula | C17H18F3N7O2 |
| Molecular Weight | 409.37 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 409.37 g/mol gives Upadacitinib Impurity 94 distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Upadacitinib Impurity 94 (CAS CATO-C4X-240594) is a certified pharmaceutical impurity reference standard with the molecular formula C17H18F3N7O2 and a molecular weight of 409.37 g/mol.
Based on its molecular formula C17H18F3N7O2, Upadacitinib Impurity 94 contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 409.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C17H18F3N7O2 |
| Molecular Weight | 409.37 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | >95% |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| Halogen Content | F-containing |
| Nitrogen Atoms | 7 |
Related Upadacitinib Standards
- Upadacitinib Impurity 108 (CAS CATO-C4X-2405108)
- Upadacitinib Impurity 47 (CAS 1428243-28-0)
- Upadacitinib Impurity 76 (CAS 2270173-67-4)
- Upadacitinib Impurity 36 (CAS CATO-C4X-240536)
- Upadacitinib Impurity 38 (CAS CATO-C4X-240538)
- Upadacitinib Impurity 37 (CAS CATO-C4X-240537)
- Upadacitinib Impurity 58 (CAS CATO-C4X-240558)
- Upadacitinib Impurity 138 (CAS CATO-C4X-2405138)
Recommended Standards
- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(3,5-difluorophenyl)acetic acid (CAS 1260590-10-0)
- 1-(4-(5-Chloro-2-methylphenyl)piperazin-1-yl)-2-((4-chlorophenyl)thio)propan-1-one (CAS 768287-86-1)
- (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(3,5-difluorophenyl)acetic acid (CAS 1260592-24-2)
- 5-Bromo-1-(phenylsulfonyl)-2-(trimethylsilyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1305324-90-6)
- Conivaptan Impurity 3 (CAS 168626-74-2)
- Daptomycin Impurity 46 (CAS CATO-C4X-137846)
- Prilocaine Impurity 6 (Lidocaine Impurity 16) (CAS 39084-88-3)
- 299916-83-9 7-bromo-4-methoxy-5-N-(2-trimethylsilylethoxy)methylpyrrolo[3,2-d]pyrimidine (CAS 299916-83-9)
- Benzyl (benzo[d][1,3]dioxol-5-ylmethyl)(methyl)carbamate (CAS 68291-45-2)
- 6-Chloro-8-(trifluoromethyl)quinoline (CAS 1065074-68-1)
- tert-butyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate (CAS 1935523-60-6)
- 2-(Phenylthio)-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)acetamide (CAS 923245-65-2)
- 6-Methoxy-4-(piperazin-1-yl)quinazoline (CAS 205259-88-7)
- Crustacean Cardioactive Peptide (CCAP) (CAS 309247-84-5)
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