{"Abbreviation":"Ro5-4864","Aliases":["Chlordiazepam","4-Chlorodiazepam","2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-","Ro 5-4864","Ro-05-4864","5-24-04-00337","7-Chloro-1,3-dihydro-1-methyl-5-(p-chlorophenyl)-2H-1,4-benzodiazepin-2-one","7-Chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one","2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(p-chlorophenyl)-1,3-dihydro-1-methyl-","2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-(9CI)"],"CAS":"14439-61-3","ChEBI":"CHEBI:232375","ChEMBL":"CHEMBL286346","ChemicalClasses":["benzodiazepine"],"Chirality":"achiral","Classes":null,"DrugClasses":[],"EliminationHalfLife":"","European Community (EC) Number":"634-296-3","HMDB ID":"HMDB0246626","HMDB Metabolite":[{"average_molecular_weight":319.19,"biospecimens":["Blood"],"cas_registry_number":"","chebi_id":"","chemical_formula":"C16H12Cl2N2O","chemspider_id":"1625","direct_substituent":"1,4-benzodiazepines","drugbank_id":"","inchi":"InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3","inchikey":"PUMYFTJOWAJIKF-UHFFFAOYSA-N","iupac_name":"7-chloro-5-(4-chlorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one","kegg_id":"","name":"4'-Chlorodiazepam","pdb_id":"","proteins":[],"pubchem_compound_id":"","smiles":"CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=C(Cl)C=C1","substituents":["1,4-benzodiazepine","Alpha-amino acid or derivatives","Aromatic heteropolycyclic compound","Aryl chloride","Aryl halide","Azacycle","Benzenoid","Carbonyl group","Carboxamide group","Carboxylic acid derivative","Chlorobenzene","Halobenzene","Hydrocarbon derivative","Imine","Ketimine","Lactam","Monocyclic benzene moiety","Organic 1,3-dipolar compound","Organic nitrogen compound","Organic oxide","Organic oxygen compound","Organochloride","Organohalogen compound","Organonitrogen compound","Organooxygen compound","Organopnictogen compound","Propargyl-type 1,3-dipolar organic compound","Tertiary carboxylic acid amide"],"synonyms":["Chlordiazepam"],"tissue":[],"wikipedia_id":""}],"HeavyAtomCount":21,"IUPACName":"7-chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one","InChI":"InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3","InChIKey":"PUMYFTJOWAJIKF-UHFFFAOYSA-N","MeSH Pharmacological Classification":"Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools. (See all compounds classified as Convulsants.)","MolecularFormula":"C\u003csub\u003e16\u003c/sub\u003eH\u003csub\u003e12\u003c/sub\u003eCl\u003csub\u003e2\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003eO","MolecularWeight":"319.2 g/mol","PrevSalts":[],"PubChemId":1688,"Record Description":["4'-chlorodiazepam is a 1,4-benzodiazepine.","4'-chlorodiazepam is a 1,4-benzodiazepine.","Wikipedia|List of designer drugs|Sedatives|Benzodiazepines"],"RefCount":3,"References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Ro5-4864","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q7339205","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/1688","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL286346","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:232375","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=14439-61-3","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0246626","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/2QW0IK1742","Name":"4'-Chlorodiazepam","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID3041116","Name":"4'-Chlorodiazepam","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 1688, 4'-Chlorodiazepam. Accessed June 27, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/1688\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/1688\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. 4'-Chlorodiazepam. UNII: 2QW0IK1742. Global Substance Registration System. Accessed June 27, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2QW0IK1742\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2QW0IK1742\u003c/a\u003e"],"SMILES":"CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl","Scheduling":[{"gov":"Canada","ref":[],"schedule":"Schedule IV substance"},{"act":"Neue-psychoaktive-Stoffe-Gesetz (NpSG)","gov":"Germany","ref":[],"schedule":"Neuer-Psychoaktiver-Stoff"},{"gov":"United Kingdom","ref":[],"schedule":"PSA substance"},{"gov":"United States","ref":[],"schedule":"Not FDA approved substance"}],"Solubility":"\u003e47.9 [ug/mL] (The mean of the results at pH 7.4)","StoreUNII":["2QW0IK1742"],"Subjective Effects":null,"Title":"4'-Chlorodiazepam","UNII":"2QW0IK1742","Wikidata":"Q7339205","Wikipedia":"Ro5-4864","XLogP":3.8}