{"Abbreviation":["PNU-22394","PNU-22394A"],"Aliases":["6-Methylhexahydroazepinoindoles","PNU-22394","1,2,3,4,5,6-Hexahydro-6-methylazepino(4,5-b)indole","Azepino(4,5-b)indole, 1,2,3,4,5,6-hexahydro-6-methyl-","1,2,3,4,5,6-Hexahydro-6-methylazepino[4,5-b]indole","RefChem:174969","6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole","6-Methyl-1,2,3,4,5,6-hexahydro-azepino[4,5-b]indole","6-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride"],"CAS":"15923-78-1","ChEBI":"CHEBI:92297","ChEMBL":"CHEMBL6557","ChemicalClasses":["hexahydroazepinoindole"],"Chirality":"achiral","Esters":[],"Formating":[],"HeavyAtomCount":15,"IUPACName":"6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole","InChI":"InChI=1S/C13H16N2/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15/h2-5,14H,6-9H2,1H3","InChIKey":"ZBXDOQWPGBISAR-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003e","MolecularWeight":"200.28 g/mol","PubChemId":27559,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/PNU-22394","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q7119897","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/27559","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL6557","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:92297","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=15923-78-1","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/J7HPJ854EA","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID001028489","Name":"6-Methylhexahydroazepinoindoles","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 27559, 6-Methylhexahydroazepinoindoles. Accessed October 10, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/27559\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/27559\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 6-Methylhexahydroazepinoindoles. UNII: J7HPJ854EA. Global Substance Registration System. Accessed October 10, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J7HPJ854EA\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/J7HPJ854EA\u003c/a\u003e"],"SMILES":"CN1C2=C(CCNCC2)C3=CC=CC=C31","SaltData":[{"AcidCount":1,"Amine":"6-Methylhexahydroazepinoindoles","AmineCount":1,"Formula":"Cl","Name":"hydrochloride","Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 109.93 54.742\"\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 0h110v55H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"M38.488 53.832v-11.39M41.562 36.359l9.256-6.725\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath 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