WHC is still in active development. Read this to understand our approach.
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isomerdesign

UML-491

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pubchem

Methysergide

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drugmap

Methysergide

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Methysergide

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Data

InChI: InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)

Synonyms: Deseryl, Metisergido [INN-Spanish],HSDB 3237,(8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, (8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide,(6aR,9R)-4-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide, Deseryl, Deseril (TN),Metisergido [INN-Spanish],DSSTox_RID_76968,UNII-XZA9HY6Z98, Dimethylergometrin, UML-491,CCG-204945,Lopac0_000863,Desernil,(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid,SDCCGSBI-0050838.P003,Sansert,Methyllysergic acid butanolamide,CAS-361-37-5,EINECS 206-644-0,H8J,CHEBI:92629,METHYSERGIDE [HSDB],Tox21_110895,AB00513725-14,(6aR,9R)-N-[(1S)-1-(hydroxymethyl)propyl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide,METHYSERGIDE [WHO-DD],(8beta)-9,10-Didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8-carboxamide, Desril, Sansert,(6aR,9R)-4,7-dimethyl-N-[(2S)-1-oxidanylbutan-2-yl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid,Tox21_110895_1, Methysergide (USAN/INN),(methylsergide)4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide,Desernyl,BRD-K35941380-050-17-0, (+)-N-(1-(Hydroxymethyl)propyl)-1-methyl-D-lysergamide, Metisergide [DCIT],METHYSERGIDE [INN],Biomol-NT_000155,Metisergide,BDBM30708,C07199,NCGC00024027-09,(6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleic acid,(4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide,BRN 0765985, 9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8-carboxamide, Sansert (TN), Methysergidum [INN-Latin],(6aR,9R)-5,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide,UML-491,HMS2090P04,Methysergid,(6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleate,N-Hydroxybutan-2-yl-1-methyllysergamide,ZINC53151228, 1-Methyl-D-lysergic acid butanolamide, Metisergide,Desril,NCGC00024027-07,MLS000069364,Ergoline-8beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, UML 491,4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide,NCGC00024027-04,Methysergide [USAN:INN:BAN],METHYSERGIDE [MI],(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide,N-(alpha-(Hydroxymethyl)propyl)-1-methyl-dextro-lysergamide,NCGC00024027-08,1-Methylmethylergonovine,Metisergide [DCIT],Deseril,METHYSERGIDE [VANDF],METHYSERGIDE [USAN],BDBM50031942,Ergoline-8-beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-,Methysergide (USAN/INN), Desernyl,DSSTox_GSID_23307,NCGC00024027-06,NCGC00024027-13, N-(1-(Hydroxymethyl)propyl)-1-methyl-dextro-(+)-lysergamide,CHEMBL1065,METHYSERGIDE [MART.],BPBio1_000486,AB00513725_15,Lysergamide, N-(1-(hydroxymethyl)propyl)-1-methyl-, D-, 1-Methyl-dextro-lysergic acid (+)-1-hydroxy-2-butylamide,XZA9HY6Z98,361-37-5,NCGC00024027-05,GTPL134, Desernil, Metisergido, N-(alpha-(Hydroxymethyl)propyl)-1-methyl-dextro-lysergamide,BRD-K35941380-001-01-7,1-Methyllysergic acid butanolamide,(+)-N-(1-(Hydroxymethyl)propyl)-1-methyl-D-lysergamide,SBI-0050838.P002,Q424442,(6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide,Methysergidum,cid_5281073,Metisergido, Methylmethylergonovine,(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid, Methysergid,SMR000058483, Methyllysergic acid butanolamide,SCHEMBL41843,(6aR,9R)-4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-1-hydroxymethyl-propyl)-amide,DTXSID2023307,(8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, (+)-9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide, Methysergidum,D02357,DSSTox_CID_3307, Methysergide [USAN:INN:BAN],UML 491,Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)-, 1-Methylmethylergonovine,Methysergidum [INN-Latin],Methysergide,methysergide

Estimated data

Solubility: -2.722 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: No (prediction using frontiersin.org)

Addictivity Prediction: 44.1% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.