{"Abbreviation":"","Aliases":["PHA-57378 free base","1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclohepta[a]acenaphthylene","1,2,8,9,10,11-Hexahydro-7H-azepino[4',5':4,5]pyrrolo[1,2,3-de][1,4]benzoxazine","7H-Azepino[4',5':4,5]pyrrolo[1,2,3-de][1,4]benzoxazine, 1,2,8,9,10,11-hexahydro-","14-oxa-1,5-diazatetracyclo[7.7.1.0{2,8}.0{13,17}]heptadeca-2(8),9(17),10,12-tetraene"],"CAS":"303799-62-4","ChEMBL":"CHEMBL76494","ChemicalClasses":["amphetamine"],"Chirality":"achiral","Classes":null,"Dosing Info":[],"DrugClasses":[],"HeavyAtomCount":17,"IUPACName":"14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9(17),10,12-tetraene","InChI":"InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2","InChIKey":"KMVAXNRPZRSLSY-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e14\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003eO","MolecularWeight":"228.29 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