Toludesvenlafaxine Impurity；916918-90-6

Product Information

• Product Code：T108001

• English Name：Toludesvenlafaxine Impurity 1

• English Alias：4-(2-(dimethylamino)-1-(1-((4-methylbenzoyl)oxy)cyclohexyl)ethyl)phenyl 4-methylbenzoate

• CAS No.：916918-90-6

• Molecular Formula：C??H??NO?

• Molecular Weight：499.64

Advantages

• High-Purity Guarantee：Confirmed by HPLC with a purity of ≥99.0%, and the structure is verified through multiple methods including NMR (1H, 13C), HRMS, and elemental analysis, providing a reliable reference standard for Toludesvenlafaxine impurity analysis.

• Excellent Stability：Stable for 36 months under storage conditions of -20℃ in the dark and sealed. The degradation rate is less than 0.2% within 6 months in common organic solvents (such as acetonitrile - methanol), ensuring stable and reliable experimental data.

Applications

• Quality Control Testing：Used for UPLC-MS/MS detection of Impurity 1 in Toludesvenlafaxine API and formulations. Strictly control the impurity content to meet ICH Q3A standards (single impurity limit ≤0.1%), ensuring drug quality and safety.

• Process Optimization Research：Monitor the formation pathway of this impurity during the synthesis of Toludesvenlafaxine. By adjusting parameters such as the esterification reaction temperature (e.g., 60 - 70℃), reaction time, and catalyst dosage, the generation of impurities can be reduced by more than 40%.

• Method Validation：As a standard for developing and validating impurity detection methods, it can effectively verify the resolution (≥3.0) and limit of detection (0.01 ng/mL) of UPLC, ensuring the accuracy and reliability of the detection method.

Background Description

Research Status

• Application of Advanced Detection Technology：UPLC-MS/MS technology is used, combined with a C18 column (1.7μm) and gradient elution with 0.1% formic acid - acetonitrile. Impurities can be separated within 10 minutes, and the limit of detection is as low as 0.003 ng/mL, enabling high-precision detection of trace impurities.

• In-Depth Study of Formation Mechanism：Studies have shown that Impurity 1 is formed by the esterification reaction of cyclohexyl-containing intermediates with 4-methylbenzoyl chloride under alkaline conditions (such as pyridine/DCM system). Optimizing the reaction sequence, precisely controlling the reactant ratio and reaction time can effectively inhibit side reactions.

• Comprehensive Safety Evaluation：In vitro cytotoxicity experiments show that the IC?? of this impurity against SH-SY5Y nerve cells is 210.6 μM (Toludesvenlafaxine IC?? = 10.5 μM). Although the toxicity is lower than that of the main drug, its content in drugs still needs to be strictly controlled. Currently, long-term stability tests are being carried out to systematically study its degradation characteristics under different humidity, light, and temperature conditions.

WhatsAPP: +86 17320513646
E-mail: anna@molcoo.com

NOTE！

We can also customize related analogues and modified peptides including HPLC, MS, 1H-NMR, MS, HPLC, IR, UV, COA, MSDS.
This product is intended for laboratory use only!

WhatsAPP: +86 17320513646
E-mail: anna@molcoo.com

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