Cyclobenzaprine Impurity2 (Hydrochloride) NEW

Product Information

• Product Code：C140002A

• English Name：Cyclobenzaprine Impurity 2(Hydrochloride)

• English Alias：3-(5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine hydrochloride

• CAS No.：438-59-5

• Molecular Formula：C₁₉H₁₉N·HCl

• Molecular Weight：261.36 (free base) + 36.46 (hydrochloride) = 297.82

Advantages

• High-Purity Reference Standard：Confirmed by HPLC (≥99.0%), NMR (1H, 13C), HRMS, and elemental analysis, suitable for Cyclobenzaprine impurity analysis and quality control.

• Stability Assurance：Stable for 36 months at -20℃ under light-protected, sealed storage; degradation rate <0.3% in methanol-water system within 6 months.

Applications

• Quality Control Testing：Used for UPLC-MS/MS detection of Impurity 2 hydrochloride in Cyclobenzaprine API and formulations, controlling content to meet ICH Q3A standards (single impurity limit ≤0.1%).

• Process Optimization Research：Monitors Impurity 2 formation during Cyclobenzaprine synthesis, reducing generation by >40% by adjusting condensation temperature (e.g., 60-70℃) and reaction time.

• Method Validation：Serves as a standard for developing impurity detection methods, verifying UPLC resolution (≥3.0) and LOD (0.01 ng/mL).

Background Description

Research Status

• Detection Technology：UPLC-MS/MS with C18 column (1.7μm) and 0.1% formic acid-acetonitrile gradient elution achieves separation within 5 minutes, with LOD of 0.005 ng/mL for trace impurity analysis.

• Formation Mechanism：Formed by condensation of dibenzocycloheptenone with N-methylpropylamine under acidic conditions (e.g., acetic acid catalysis) to give the free base, followed by salification with hydrochloric acid; optimizing catalyst dosage and reaction pH inhibits side reactions.

• Safety Evaluation：In vitro cytotoxicity shows IC₅₀ of 189.6 μM against C2C12 muscle cells (Cyclobenzaprine IC₅₀=12.3 μM), with lower toxicity than the main drug but requiring strict content control. Long-term stability testing is ongoing to monitor degradation under different humidity, light, and temperature conditions.

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