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isomerdesign

Ergometrine

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pubchem

Ergometrine

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drugmap

Ergonovine

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Ergometrine

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Ergometrinine

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Data

InChI: InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)

Synonymes: L-Lysergic-L(beta-hydroxyisopropylamide),9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide,D-Lysergic acid-L-propanolamide, N-(1-(Hydroxymethyl)ethyl)-D-lysergamide,FT-0625687, Secometrin,AKOS024282585, Secacornin, D-Lysergic acid-L-propanolamide,Ergonovine,DSSTox_CID_26323,D07905,HSDB 4075,N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide, Ergoklinine,ERGONOVINE [HSDB],SMP1_000118, 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide,(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide, Ergotrate, Ergostetrine,[8beta(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide,Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-,CAS-60-79-7, L-Lysergic-L(beta-hydroxyisopropylamide),Margonovine,Ergometrinum,ERGOMETRINE [WHO-DD], Ergometrin, Ergometrina [INN-Spanish],9,10-DIDEHYDRO-N-((S)-2-HYDROXY-1-METHYLETHYL)-6-METHYLERGOLINE-8.BETA.-CARBOXAMIDE,ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-(2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8.BETA.(S))-,N-Hydroxyisopropyllysergamide,DSSTox_RID_81539,Lysergamide, N-((S)-2-hydroxy-1-methylethyl)-,DTXSID8046323,C07543, Ergometrine [INN:BAN],Ergometrina [INN-Spanish],Ergobasine, Margonovine,(4R,7R)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide, N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide,Secometrin,SCHEMBL78181,N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide,9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide, [8beta(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide,Q424508,Ergometrine dried down 100 microg/mL,Ergostetrine, Ergometrine (INN),Ergometrine,ERGONOVINE [VANDF],Ergotrate Maleate,UNII-WH41D8433D, Ergometrinum,Ergometrine [INN:BAN], Neofemergen,D-Lysergic acid 1-hydroxymethylethylamide, N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide,Ergometrine (INN),(9R)-N-((S)-1-hydroxypropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide,60-79-7,Tox21_112022,NCGC00017253-03,ERGOMETRINE [INN],Ergometrin, Ergotocine,(6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-2-hydroxy-1-methyl-ethyl)-amide,BDBM50390991,EINECS 200-485-0,Ergoklinine,Ergotrate,GTPL148,DB01253, Ergometrina,CHEBI:4822,Secacornin,N-(2-Hydroxy-1-methylethyl)-D-(+)-lysergamide,Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, (8beta(S))-,N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide,N-(1-(Hydroxymethyl)ethyl)-D-lysergamide, Ergotrate Maleate, Ergobasine,ERGONOVINE [MI], Ergometrine, Lysergic acid propanolamide,CHEMBL119443,Ergometrina,WH41D8433D, Ergobasin, 9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide, D-Lysergic acid 1-hydroxymethylethylamide,Ergometrinum [INN-Latin],Lysergic acid propanolamide, N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide, Ergometrinum[INN-Latin],ZINC53174604,Ergotocine,DSSTox_GSID_46323,(6aR,9R)-N-((S)-1-hydroxypropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide,ERGONOVINE,NCGC00163165-01,Basergin

Estimated data

Solubility: -2.421 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 58.8% (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.