{"Abbreviation":"DPN","Aliases":["2,3-bis(4-hydroxyphenyl)propionitrile","2,3-bis(4-hydroxyphenyl)-propionitrile","DPN compound","2,3-Bis(p-hydroxyphenyl)propionitrile","2,3-Bis(p-hydroxyphenyl)-propionitrile","Propionitrile, 2,3-bis(p-hydroxyphenyl)-","4-Hydroxy-α-(4-hydroxyphenyl)benzenepropanenitrile","Benzenepropanenitrile, 4-hydroxy-α-(4-hydroxyphenyl)-","2,3-BHPPN","2,3-Bis-(4-hydroxy-phenyl)-propionitrile"],"CAS":"1428-67-7","ChEBI":"CHEBI:63949","ChEMBL":"CHEMBL334773","ChemicalClasses":["phenethylamine"],"Chirality":"racemic","Dosing Info":[],"DrugClasses":[],"EliminationHalfLife":"","European Community (EC) Number":"630-808-4","HMDB ID":"HMDB0244616","HeavyAtomCount":18,"IUPACName":"2,3-bis(4-hydroxyphenyl)propanenitrile","InChI":"InChI=1S/C15H13NO2/c16-10-13(12-3-7-15(18)8-4-12)9-11-1-5-14(17)6-2-11/h1-8,13,17-18H,9H2","InChIKey":"GHZHWDWADLAOIQ-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e15\u003c/sub\u003eH\u003csub\u003e13\u003c/sub\u003eNO\u003csub\u003e2\u003c/sub\u003e","MolecularWeight":"239.27 g/mol","Opticalactivity":"( + / - )","PrevSalts":[],"PubChemId":102614,"Record Description":["2,3-bis(4-hydroxyphenyl)propionitrile is a nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta). It has a role as an estrogen receptor agonist. It is a member of phenols and a nitrile.","2,3-bis(4-hydroxyphenyl)propionitrile is a nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta). It has a role as an estrogen receptor agonist. It is a member of phenols and a nitrile."],"References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Diarylpropionitrile","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q25100751","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/102614","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL334773","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63949","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=1428-67-7","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0244616","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/52XWB8Q4V8","Name":"Diarylpropionitrile","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID0040387","Name":"Diarylpropionitrile","Sub":false}]}],"SMILES":"C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)O)O","Scheduling":[],"StereoisomerRacemic":"(RS)-Diarylpropionitrile","StoreUNII":["52XWB8Q4V8"],"StructureBase64":"<svg xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" height="82.25mm" version="1.2" viewBox="0 0 120.123 82.25" width="120.123mm">
      
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