{"Abbreviation":"EBB","Aliases":["Atrimustine","Bestrabucil","Atrimustina","Atrimustinum","Estradiol Benzoate Butyrate","KM2210","Estra-1,3,5(10)-triene-3,17-diol, (17-β)-, 3-benzoate, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate)","Estradiol 3-benzoate 17-glycolate, 4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate","Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate)","KM-2210","Bestrabucil;KM2210","KM 2210","Busramustine","Kregan","CS-6616","DA-71121","MS-31233","HY-101604","G12734"],"CAS":"75219-46-4","ChEMBL":"CHEMBL2106381","ChemicalClasses":[],"Chirality":"absolute","EliminationHalfLife":"","Esters":[],"Formating":[],"HeavyAtomCount":50,"IUPACName":"[(8R,9S,13S,14S,17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate","InChI":"InChI=1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34-,35-,36+,37+,41+/m1/s1","InChIKey":"IFJUINDAXYAPTO-UUBSBJJBSA-N","MeSH Pharmacological Classification":"Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)","MolecularFormula":"C\u003csub\u003e41\u003c/sub\u003eH\u003csub\u003e47\u003c/sub\u003eCl\u003csub\u003e2\u003c/sub\u003eNO\u003csub\u003e6\u003c/sub\u003e","MolecularWeight":"720.7 g/mol","Opticalactivity":"UNSPECIFIED","PubChemId":6917688,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Atrimustine","Name":"Estradiol benzoate butyrate","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q27293770","Name":"Estradiol benzoate butyrate","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/6917688","Name":"Estradiol benzoate butyrate","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2106381","Name":"Estradiol benzoate butyrate","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=75219-46-4","Name":"Estradiol benzoate butyrate","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/XC0K09B7K4","Name":"Estradiol benzoate butyrate","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID501046416","Name":"Estradiol benzoate butyrate","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 6917688, Estradiol benzoate butyrate. Accessed July 7, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/6917688\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/6917688\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Estradiol benzoate butyrate. UNII: XC0K09B7K4. Global Substance Registration System. Accessed July 7, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XC0K09B7K4\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/XC0K09B7K4\u003c/a\u003e"],"SMILES":"C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Estradiol benzoate butyrate","(-)-Estradiol benzoate butyrate"],"Structure":"\u003csvg  preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 269.93 258.23\"\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 0h270v259H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath fill=\"#000\" stroke=\"none\" d=\"m119.421 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