Empagliflozin Impurity 113 CAS 2452301-16-3
| CAS No. | 2452301-16-3 |
| Molecular Formula | C17H16ClIO2 |
| Molecular Weight | 414.67 g/mol |
| Category | Pharmacopoeial Impurity Standards / EP Impurities |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Empagliflozin Impurity 113.
Empagliflozin Impurity 113 (CAS 2452301-16-3) is a certified pharmaceutical impurity reference standard with the molecular formula C17H16ClIO2 and a molecular weight of 414.67 g/mol.
Structurally, Empagliflozin Impurity 113 (C17H16ClIO2) contains a steroid core, a hydroxyl group, an ether linkage, chlorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 414.67 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C17H16ClIO2 |
| Molecular Weight | 414.67 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | >95% |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | Cl/I-containing |
Related Empagliflozin Standards
- Empagliflozin Impurity 111 (CAS 2194590-02-6)
- Empagliflozin Impurity 21 (CAS CATO-C4X-106521)
- Empagliflozin impurity 61 (CAS CATO-C4X-1065261)
- Empagliflozin impurity 265 (CAS CATO-C4X-1065265)
- Empagliflozin impurity 320 (CAS CATO-C4X-1065320)
- Empagliflozin Impurity 41 (CAS CATO-C4X-106541)
- Empagliflozin Impurity 50 (CAS 915095-94-2)
- Empagliflozin Impurity 64 (CAS CATO-C4X-106564)
Recommended Standards
- 6-Oxo-6-((2,7,8-trichlorodibenzo[b,d]furan-4-yl)amino)hexanoic acid (CAS 93943-02-3)
- (1-Benzyl-7-chloro-5-iodo-3-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)methanol (CAS 2639205-87-9)
- 5-(3-Chloro-4-((2,4-dichlorobenzyl)oxy)-5-ethoxyphenyl)-1,3,4-oxadiazol-2-amine (CAS 1706452-81-4)
- 1,1,6,6-Tetra(thiophen-2-yl)hexane (CAS 1228246-25-0)
- Efinaconazole impurity 44 (CAS CATO-C4X-124344)
- Cetirizine EP Impurity G Hydrochloride (CAS 164726-80-1)
- Fulvestrant Impurity 10 (CAS 149051-24-1)
- 3-(2-(Difluoromethoxy)phenyl)propanoic acid (CAS 1017030-88-4)
- Trans-Beta-Methylstyrene (CAS 873-66-5)
- 6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CAS 1899934-22-5)
- 1-(Phenylmethoxy)-3-butyn-2-one (CAS 94075-59-9)
- [rel-(1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-yl]methanamine;hydrochloride (CAS 2007919-46-0)
- 2-(5-Fluoro-2-methoxyphenyl)ethan-1-ol (CAS 1000571-93-6)
- Des-[Ser]8-Liraglutide (CAS CATO-C4X-199233)
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