Related CAS #
                                        
                                                                                                                                                                                                        26020-55-3 (free base); 34522-46-8 (fumarate)
                                                                                                                                                                                        
                                     
                                    
                                        Synonym
                                        Oxetorone Free Base; Oxetorona; Oxetoronum
                                     
                                    
                                        IUPAC/Chemical Name
                                        3-(12H-Benzofuro(3,2-c)(1)benzoxepin-6-yliden)-N,N-dimethylpropylamin
                                     
                                    
                                        InChi Key
                                        VZVRZTZPHOHSCK-LICLKQGHSA-N
                                     
                                    
                                        InChi Code
                                        InChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3/b17-10+
                                     
                                    
                                        SMILES Code
                                        CN(C)CC/C=C1C(OC2=CC=CC=C23)=C3COC4=CC=CC=C/14
                                     
                                    
                                    
                                        Purity
                                        >98% (or refer to the Certificate of Analysis)
                                     
                                    
                                        Shipping Condition
                                        Shipped under ambient temperature as non-hazardous chemical.  This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
                                     
                                    
                                        Storage Condition
                                        Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
                                     
                                    
                                        Solubility
                                        To be determined
                                     
                                    
                                        Shelf Life
                                        >2 years if stored properly
                                     
                                    
                                        Drug Formulation
                                        To be determined
                                     
                                    
                                        Stock Solution Storage
                                        0 - 4 C for short term (days to weeks), or -20 C for long term (months).
                                     
                                    
                                        HS Tariff Code
                                        2934.99.9001
                                     
                                    
                                 
                             
                            
                                                        
                                                                
                                    Preparing Stock Solutions
                                    
                                        The following data is based on the
                                        product
                                        molecular weight
                                        319.40
                                        Batch specific molecular weights may vary
                                        from batch to batch
                                        due to the degree of hydration, which will
                                        affect the solvent
                                        volumes required to prepare stock solutions.
                                    
                                    
                                    
                                        
                                            
                                            
                                                | Concentration / Solvent Volume / Mass | 
                                                1 mg | 
                                                5 mg | 
                                                10 mg | 
                                            
                                            
                                            
                                            
                                                | 1 mM | 
                                                1.15 mL | 
                                                5.76 mL | 
                                                11.51 mL | 
                                            
                                            
                                                | 5 mM | 
                                                0.23 mL | 
                                                1.15 mL | 
                                                2.3 mL | 
                                            
                                            
                                                | 10 mM | 
                                                0.12 mL | 
                                                0.58 mL | 
                                                1.15 mL | 
                                            
                                            
                                                | 50 mM | 
                                                0.02 mL | 
                                                0.12 mL | 
                                                0.23 mL | 
                                            
                                            
                                        
                                     
                                 
                                                             
                            
                            
                                
                                    1: Macaigne G, Boivin JF, Chayette C, Cheaib S, Deplus R. Colite lymphocytaire associée à la prise d'oxétorone [Oxetorone-associated lymphocytic colitis]. Gastroenterol Clin Biol. 2002 May;26(5):537. French. PMID: 12122372.
2: Deguigne M, Bruneau C, Touré A, Turcant A, Le Roux G. New evidence for oxetorone toxicity. Clin Toxicol (Phila). 2017 Feb;55(2):142-146. doi: 10.1080/15563650.2016.1267358. Epub 2016 Dec 14. PMID: 27967233.
3: Pradalier A, Molitor JL, Campinos C. Oxétorone et sueurs profuses [Oxetorone and profuse sweating]. Therapie. 2003 Mar-Apr;58(2):166-7. French. doi: 10.2515/therapie:2003025. PMID: 12942859.
4: Payen C, Patat AM, Pulce C, Descotes J. Intoxication aiguë par oxetorone [Acute poisoning with oxetorone]. Therapie. 2006 Nov-Dec;61(6):548-50. French. doi: 10.2515/therapie:2006081. PMID: 17348615.
5: Pradalier A. Hyperprolactinaemia and depression induced by oxetorone. Cephalalgia. 1996 Dec;16(8):560-1. doi: 10.1046/j.1468-2982.1996.1608560.x. PMID: 8980859.
6: Fathallah N, Chatti S, Azouz MM. Colite lymphocytaire associée à la prise d'oxétorone [Lymphocytic colitis associated with oxetorone consumption]. Gastroenterol Clin Biol. 2010 Feb;34(2):154-5. French. doi: 10.1016/j.gcb.2009.12.001. Epub 2010 Jan 21. PMID: 20096517.
7: Galerneau V, Petit J, Deghmani M, Leroy J, Droy JM, Leroy A, Oksenhendler G, Winckler C. Severe self-poisoning with oxetorone: report of one case. J Toxicol Clin Toxicol. 1990;28(1):111-6. doi: 10.3109/15563659008993482. PMID: 2381017.
8: Roos C. Migraine : données épidémiologiques, cliniques et thérapeutiques [Migraine epidemiological, clinical and therapeutic data]. Biol Aujourdhui. 2019;213(1-2):35-41. French. doi: 10.1051/jbio/2019019. Epub 2019 Jul 5. PMID: 31274101.
9: Barchewitz G, Vernant C, Mazue G, Binon F, Cier A, Tuchmann Duplessis H. Oxetorone-induced hyperprogesteronemia and the development of uterine decidual lesions in rats. Arzneimittelforschung. 1984;34(9):1007-10. PMID: 6542368.
10: de Coster J. Etude de l'oxétorone dans les céphalées migraineuses [Oxetorone in the treatment of migrainous cephalalgia (author's transl)]. Schweiz Rundsch Med Prax. 1976 Jul 13;65(28):879-82. French. PMID: 1005299.