{"Abbreviation":"","Aliases":["Brallobarbital","Bralobarbital","Brallobarbitalum","T2G1s","(5-Allyl-5-bromoallyl)barbituric acid","209-225-0","Brallobarbitone","Vesperone","Ucedorm","Brallobarbitale","5-Allyl-5-(2-bromoallyl)barbituric acid","Allylbromoallylbarbituric acid","5-Allyl-5-(2-bromoallyl)barbitursaeure","5-(2'-Bromallyl)-5-Allylbarbituric acid","U. c. b. 5033","Barbituric acid, 5-allyl-5-(2-bromoallyl)-","2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(2-propenyl)-","5-Allyl-5-(2-bromoallyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(2-propen-1-yl)-","Brallobarbital, (+-)-","AAA56186","5-Allyl-5-(2-bromo-2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione #"],"CAS":"561-86-4","ChEBI":"CHEBI:135188","ChEMBL":"CHEMBL2106093","ChemicalClasses":["barbiturate"],"Chirality":"achiral","EINECS":"209-225-0","EliminationHalfLife":"","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"209-225-0","Formating":[],"HeavyAtomCount":16,"IUPACName":"5-(2-bromoprop-2-enyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione","InChI":"InChI=1S/C10H11BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h3H,1-2,4-5H2,(H2,12,13,14,15,16)","InChIKey":"DYODAJAEQDVYFX-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e10\u003c/sub\u003eH\u003csub\u003e11\u003c/sub\u003eBrN\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e","MolecularWeight":"287.11 g/mol","PubChemId":68416,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Brallobarbital","Name":"Brallobarbital","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q4956062","Name":"Brallobarbital","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/68416","Name":"Brallobarbital","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106093","Name":"Brallobarbital","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135188","Name":"Brallobarbital","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=561-86-4","Name":"Brallobarbital","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/D0N7A2M3MU","Name":"Brallobarbital","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID60204648","Name":"Brallobarbital","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 68416, Brallobarbital. Accessed July 13, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/68416\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/68416\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Brallobarbital. UNII: D0N7A2M3MU. Global Substance Registration System. Accessed July 13, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D0N7A2M3MU\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/D0N7A2M3MU\u003c/a\u003e"],"SMILES":"C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)Br","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Brallobarbital","(-)-Brallobarbital"],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 70.611 87.543\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#3050f8\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h71v88H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M45.975 12.729 55.77 1.053M48.748 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class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m28.188 57.752.001-5.699M28.188 57.752l.001-5.699M31.34 63.422l5.022 2.9M31.34 63.422l5.022 2.9M51.435 63.415l-5.025 2.904M54.589 57.743l.002-5.699\" class=\"hi\"/\u003e\u003cpath stroke=\"#a62929\" d=\"m7.759 41.621 2.014-5.535\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Brallobarbital","UNII":"D0N7A2M3MU","Wikidata":"Q4956062","Wikipedia":"Brallobarbital","XLogP":1.5}