{"Abbreviation":[],"Aliases":["Ergocornin","12'-Hydroxy-2',5'-α-bis(1-methylethyl)ergotaman-3',6',18-trione","12'-hydroxy-3',6',18-trioxo-2',5'α-di(propan-2-yl)ergotaman","ergocorine mesylate","(6aR,9R)-N-((1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide","Ergocorine phosphate","RefChem:137501","209-272-7","N-(2-hydroxy-5,8-dioxo-4,7-bis(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide","Mls000069342","Smr000058938","12'-hydroxy-2',5'α-bis(1-methylethyl)ergotaman-3',6',18-trione","regid856021","Opera_ID_1715","Biomol-NT_000006","Ergocornine, \u003e95%, solid","4-25-00-00963","cid_73453","Mls001076288","BPBio1_001133","orb2813762","HMS2232G14","HY-N7767","MSK40245","FE30655"],"CAS":"564-36-3","ChEBI":"CHEBI:4820","ChEMBL":"CHEMBL1385840","ChemicalClasses":["lysergamide"],"Chirality":"absolute","EINECS":"209-272-7","Esters":[],"European Community (EC) Number":"209-272-7","Formating":[],"Health Effects":"Ingestion of ergoline alkaloids is known to cause the disease ergotism. Ergotism occurs in two forms, gangrenous and convulsive, likely depending on the different kinds and amounts of ergoline alkaloids present. (A2913)","HeavyAtomCount":41,"IUPACName":"(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide","InChI":"InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1","InChIKey":"UJYGDMFEEDNVBF-OGGGUQDZSA-N","LDLo":[{"dosages":[{"amount":"1170 μg/kg","route":"intravenous"}],"organism":"Rabbit"}],"MolecularFormula":"C\u003csub\u003e31\u003c/sub\u003eH\u003csub\u003e39\u003c/sub\u003eN\u003csub\u003e5\u003c/sub\u003eO\u003csub\u003e5\u003c/sub\u003e","MolecularWeight":"561.7 g/mol","Opticalactivity":"UNSPECIFIED","PubChemId":73453,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Ergocornine","Name":"Ergocornine","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q5385809","Name":"Ergocornine","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/73453","Name":"Ergocornine","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1385840","Name":"Ergocornine","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4820","Name":"Ergocornine","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=564-36-3","Name":"Ergocornine","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C09162","Name":"Ergocornine","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/7W36B25464","Name":"Ergocornine","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID40971841","Name":"Ergocornine","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 73453, Ergocornine. Accessed October 13, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/73453\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/73453\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Ergocornine. UNII: 7W36B25464. Global Substance Registration System. Accessed October 13, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7W36B25464\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/7W36B25464\u003c/a\u003e"],"SMILES":"CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 92.273 172.818\"\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 0h93v173H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m30.305.976-3.209 14.898M27.096 15.874l-14.507 4.671\" 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molecular weight dextrans. If necessary, a sympathetic nerve blockade may be carried out, such as brachial plexus blockade. Temporary sedation (e.g. haloperidol) will be necessary in hallucination and diazepam is used for convulsions. There is no specific antidote. (L1921)","UNII":"7W36B25464","Wikidata":"Q5385809","Wikipedia":"Ergocornine","XLogP":2.4}