FRDD
Forensically-Relevant Drug Database
Description
Preferred Drug Name
Brief Description
N-Propionitrile chlorphine is a novel synthetic opioid bearing structural similarity to other benzimidazolones (e.g., brorphine, chlorphine, florphine). N-Propionitrile chlorphine was first identified by our laboratory in August 2024 and confirmed in September 2024 via standard reference material. N-Propionitrile chlorphine is not currently a scheduled drug in the United States.
Structure
Nomenclature
Formal Name (IUPAC)
Synonyms
Identifiers
CAS Numbers
Chemistry
Chemical Formula
Molecular Mass
Molecular Ion
Exact Mass
SMILES
InChI String
InChI Key
GCMS Analytics
Lab
Comments
| Sample Preparation: | Drug Materials: Dilution in methanol or acid / base extraction Drug Standards: Dilution in methanol |
| Instrument: | Agilent 5975 Series GC/MSD System |
| Column: | Agilent J&W DB-1 (12 m x 200 µm x 0.33 µm) |
| Carrier Gas: | Helium (Flow: 1.46 mL/min) |
| Temperatures: | Injection Port: 265 °C Transfer Line: 300 °C MS Source: 230 °C MS Quad: 150 °C Oven Program: 50 °C for 0 min, 30 °C/min to 340 °C for 2.3 min |
| Injection Parameters: | Injection Type: Splitless Injection Volume: 1 µL |
| MS Parameters: | Mass Scan Range: 40-550 m/z |
Images
Fragments
103
139
HRMS Analytics
Lab
Comments
| Sample Preparation: | Toxicology Samples: Liquid-liquid extraction Drug Materials: Dilution of sample in mobile phase |
| Instrument: | Sciex TripleTOF® 5600+, Shimadzu Nexera XR UHPLC Sciex X500R, Sciex ExionLC |
| Column: | Phenomenex® Kinetex C18 (50 mm x 3.0 mm, 2.6 µm) |
| Mobile Phase: | A: Ammonium formate (10 mM, pH 3.0) B: Methanol/acetonitrile (50:50) Flow rate: 0.4 mL/min |
| Gradient: | Initial: 95A:5B; 5A:95B over 13 min; 95A:5B at 15.5 min |
| Temperatures: | Autosampler: 15 °C Column Oven: 30 °C Source Heater: 600 °C |
| Injection Parameters: | Injection Volume: 10 µL |
| QTOF Parameters: | TOF MS Scan Range: 100-510 Da Precursor Isolation: SWATH® acquisition (27 windows) Fragmentation: Collison Energy Spread (35±15 eV) MS/MS Scan Range: 50-510 Da |
Images
Fragments
271.155
409.1782
84.0806
103.0536
