{"Aliases":["N-Pyrrolidino Isotonitazene","2-(4-isopropoxybenzyl)-5-nitro-1-(2-(pyrrolidin-1-yl)ethyl)-1H-benzimidazole","1H-Benzimidazole, 2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]-"],"CAS":"3053113-12-2","ChemicalClasses":["nitazepyne"],"Chirality":"achiral","Classes":["Opioid"],"DTXSID":"001356276","Erowid Experience Reports":[],"Esters":[],"Formating":[],"HeavyAtomCount":30,"IUPACName":"5-nitro-2-[(4-propan-2-yloxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole","InChI":"InChI=1S/C23H28N4O3/c1-17(2)30-20-8-5-18(6-9-20)15-23-24-21-16-19(27(28)29)7-10-22(21)26(23)14-13-25-11-3-4-12-25/h5-10,16-17H,3-4,11-15H2,1-2H3","InChIKey":"VRKDSDBBRNHHCR-UHFFFAOYSA-N","MeSH Headers":[],"MolecularFormula":"C\u003csub\u003e23\u003c/sub\u003eH\u003csub\u003e28\u003c/sub\u003eN\u003csub\u003e4\u003c/sub\u003eO\u003csub\u003e3\u003c/sub\u003e","MolecularWeight":"408.5 g/mol","PubChemId":168322631,"PubChemTitle":"N-Pyrrolidino Isotonitazene","Reagents":[],"Records":{"UNII":{"Impurities":[]}},"Reddit Experience Reports":[],"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Isotonitazepyne","Name":"Isotonitazepyne","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q123351674","Name":"Isotonitazepyne","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/168322631","Name":"Isotonitazepyne","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=3053113-12-2","Name":"Isotonitazepyne","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/ERF4K35UV5","Name":"Isotonitazepyne","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID001356276","Name":"Isotonitazepyne","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 168322631, Isotonitazepyne. Accessed June 7, 2026. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/168322631\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/168322631\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Isotonitazepyne. UNII: ERF4K35UV5. Global Substance Registration System. Accessed June 7, 2026. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ERF4K35UV5\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/ERF4K35UV5\u003c/a\u003e"],"SMILES":"CC(C)OC1=CC=C(C=C1)CC2=NC3=C(N2CCN4CCCC4)C=CC(=C3)[N+](=O)[O-]","SaltData":[],"Salts":[],"StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 148.841 137.312\"\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=\".8\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h149v138H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m147.735 136.206-7.62-13.198M140.115 123.008l7.62-13.199M140.115 123.008h-11.327M122.753 119.332l-5.498-9.523\" 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vision"]},"Title":"Isotonitazepyne","UNII":"ERF4K35UV5","Wikidata":"Q123351674","Wikipedia":"Isotonitazepyne","XLogP":4.5}