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isomerdesign

UML-491

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pubchem

Methysergide

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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)

Synonymes: 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)

Similitudes

Voici une série de comparaisons visant à comprendre les propriétés de ce composé. Ce site est encore très expérimental et fait l'objet d'un développement actif. Veuillez vous référer à notre série d'articles d'articles pour bien comprendre notre approche et ses limites. Ces informations sont données à titre indicatif et ne doivent pas être interprétées comme des conseils médicaux.