{"Abbreviation":[],"Aliases":["Bretazenilum","Ro 16-6028/000","Ro-166028000","Ro-f61816-6028/000","RefChem:917541","t-butyl-8-bromo-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo(1,5-a)-pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylate","9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-,1,1-dimethylethyl ester, (S)-","Ro 16-6028","Ro-16-6028","Ncgc00160640-01","9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylic acid, 8-bromo-11,12,13,13a-tetrahydro-9-oxo-, 1,1-dimethylethyl ester, (S)-","tert-Butyl (S)-8-bromo-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepine-1-carboxylate","tert-butyl (S)-8-bromo-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]imidazo[5,1-c]pyrrolo[1,2-a][1,4]diazepine-1-carboxylate","C19H20BrN3O3","Cas-84379-13-5","tert-Butyl (S)-8-bromo-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate","Ro 16-6028; Ro 16-6028/000","GTPL4146","orb1473105","HMS3413P18","HMS3677P18","8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid tert-butyl ester","JDA37913","Tox21_111947","Pdsp1_000566"],"CAS":"84379-13-5","ChEMBL":"CHEMBL366947","ChemicalClasses":["imidazobenzodiazepine"],"Chirality":"absolute","Esters":[],"Formating":[],"HeavyAtomCount":26,"IUPACName":"tert-butyl (7S)-14-bromo-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate","InChI":"InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1","InChIKey":"LWUDDYHYYNNIQI-ZDUSSCGKSA-N","MeSH Pharmacological Classification":"Drugs used to prevent SEIZURES or reduce their severity.","MolecularFormula":"C\u003csub\u003e19\u003c/sub\u003eH\u003csub\u003e20\u003c/sub\u003eBrN\u003csub\u003e3\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e","MolecularWeight":"418.3 g/mol","Opticalactivity":"UNSPECIFIED","PubChemId":107926,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Bretazenil","Name":"Bretazenil","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q4961977","Name":"Bretazenil","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/107926","Name":"Bretazenil","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL366947","Name":"Bretazenil","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=84379-13-5","Name":"Bretazenil","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/D03155","Name":"Bretazenil","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/OSZ0E9DGOJ","Name":"Bretazenil","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID6046266","Name":"Bretazenil","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 107926, Bretazenil. Accessed September 1, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/107926\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/107926\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Bretazenil. UNII: OSZ0E9DGOJ. Global Substance Registration System. Accessed September 1, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OSZ0E9DGOJ\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/OSZ0E9DGOJ\u003c/a\u003e"],"SMILES":"CC(C)(C)OC(=O)C1=C2[C@@H]3CCCN3C(=O)C4=C(N2C=N1)C=CC=C4Br","SaltData":[],"Salts":[],"StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 115.017 94.386\"\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=\"#ff0d0d\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h116v95H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m100.189 31.308-1.296-15.185M98.893 16.123l15.185-1.296M98.893 16.123 97.598.939M98.893 16.123l-11.53.984M82.029 21.001l-4.79 10.217\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M77.836 29.943 84.7 39.79M75.836 31.337l6.863 9.847\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m84.7 39.79-3.432-4.923M82.699 41.184l-3.432-4.923\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m77.239 31.218-15.185 1.296\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m54.175 45.559 7.879-13.045M53.003 42.782 59.05 32.77\"/\u003e\u003c/g\u003e\u003cpath d=\"m54.175 45.559 6.604 13.716M60.779 59.275l15.103 2.034M75.882 61.309l2.725 14.998M78.607 76.307l-13.423 7.222M65.184 83.529l-8.057-7.712\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m61.094 59.427-.63-.304\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m60.256 61.839-1.156-.557M59.419 64.252l-1.682-.81M58.581 66.664l-2.208-1.063M57.743 69.077l-2.733-1.316\"/\u003e\u003c/g\u003e\u003cpath d=\"m50.871 73.76-11.53 2.685\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M40.662 76.138 38.03 87.689M38.284 75.596l-2.631 11.551\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m38.03 87.689 1.316-5.776M35.653 87.147l1.315-5.776\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m39.341 76.445-11.887-9.55\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M27.454 66.895v-15.24M25.016 65.487V53.063\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.454 51.655 8.855-7.114M54.175 45.559l-11.529-2.685M39.011 38.26l-.975-11.339\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m48.847 22.355-10.811 4.566M49.795 24.602l-9.177 3.875\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m48.847 22.355-5.405 2.283M49.795 24.602l-4.588 1.938\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m62.054 32.514-7.12-8.223M27.454 51.655l-13.208-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m14.246 44.035-13.208 7.62M14.246 46.85 3.477 53.063\"/\u003e\u003c/g\u003e\u003cpath d=\"M1.038 51.655v15.24\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m1.038 66.895 13.208 7.62M3.477 65.487 14.246 71.7\"/\u003e\u003c/g\u003e\u003cpath d=\"m27.454 66.895-13.208 7.62M14.246 74.515v11.39\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M85.968 17.416q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887-.245-.572-.245-1.334 0-.75.245-1.309.25-.566.756-.881t1.274-.316q.732 0 1.232.316.5.309.756.875.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.53 1.221.53.839 0 1.22-.53.387-.536.387-1.459 0-.928-.387-1.452-.381-.524-1.208-.524-.834 0-1.227.524t-.393 1.452M88.213 43.717q0 .756-.256 1.328-.256.565-.757.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887-.244-.572-.244-1.334 0-.75.244-1.309.25-.566.756-.882.506-.315 1.274-.315.732 0 1.232.315.501.31.757.876.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.529 1.22.529.84 0 1.221-.529.387-.536.387-1.459 0-.929-.387-1.452-.381-.524-1.209-.524-.833 0-1.226.524-.393.523-.393 1.452\" class=\"atom\"/\u003e\u003cpath fill=\"#3050f8\" stroke=\"none\" d=\"M56.116 75.441h-.721l-2.619-4.066h-.03l.03.595q.024.357.024.732v2.739h-.566v-4.9h.715l2.607 4.054h.03l-.018-.327-.024-.476q-.006-.262-.006-.483v-2.768h.578z\" class=\"atom\"/\u003e\u003cpath stroke=\"none\" d=\"M38.215 91.302q0 .756-.256 1.327-.256.566-.756.881t-1.244.316q-.756 0-1.262-.316-.506-.315-.756-.887-.244-.571-.244-1.333 0-.75.244-1.31.25-.566.756-.881t1.274-.316q.732 0 1.232.316.5.309.756.875t.256 1.328m-3.863 0q0 .922.386 1.458.393.53 1.221.53.839 0 1.22-.53.387-.536.387-1.458 0-.929-.387-1.453-.381-.524-1.208-.524-.834 0-1.227.524-.392.524-.392 1.453\" class=\"atom\"/\u003e\u003cpath fill=\"#3050f8\" stroke=\"none\" d=\"M41.282 44.554h-.72l-2.62-4.066h-.029l.029.596q.024.357.024.732v2.738h-.565v-4.899h.714l2.607 4.054h.03l-.018-.328q-.012-.22-.023-.476-.006-.262-.006-.482v-2.768h.577zM54.018 23.441h-.72l-2.62-4.066h-.03l.03.595q.024.357.024.732v2.739h-.566v-4.9h.715l2.607 4.054h.03l-.018-.327-.024-.476q-.006-.262-.006-.483v-2.768h.578z\" class=\"atom\"/\u003e\u003cpath fill=\"#a62929\" stroke=\"none\" d=\"M13.934 87.305q.916 0 1.387.274.47.268.47.941 0 .434-.244.72-.238.286-.691.363v.036q.31.047.56.178t.393.375q.149.239.149.62 0 .666-.459 1.029-.458.364-1.244.364h-1.72v-4.9zm.119 2.09q.631 0 .863-.203.238-.202.238-.601 0-.405-.286-.577-.286-.179-.911-.179h-.809v1.56zm-.905.512v1.774h.988q.655 0 .905-.25.256-.256.256-.667 0-.381-.268-.619-.262-.238-.941-.238zm5.475-1.447q.102 0 .221.012.125.006.208.03l-.071.553q-.09-.017-.197-.029-.107-.018-.202-.018-.28 0-.53.155-.244.154-.393.434-.149.274-.149.649v1.959h-.601v-3.673h.494l.066.666h.029q.179-.297.459-.518.279-.22.666-.22\" class=\"atom\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m87.363 17.107 5.765-.492M82.029 21.001l-2.395 5.109\" class=\"hi\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m57.127 75.817 4.029 3.856M50.871 73.76l-5.765 1.342M36.309 44.541l-4.428 3.557M42.646 42.874l5.764 1.342M39.011 38.26l-.488-5.67M54.934 24.291l3.56 4.112\" class=\"hi\"/\u003e\u003cpath stroke=\"#a62929\" d=\"M14.246 85.905V80.21\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Bretazenil","UNII":"OSZ0E9DGOJ","Wikidata":"Q4961977","Wikipedia":"Bretazenil","XLogP":3.1}
