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

Methylergometrine

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Methylergonovine

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Methylergonovine

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Methylergometrine

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Data

InChI: InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)

Synonyms: Methergine,NINDS_000357,(8.BETA.)-N-((1S)-1-(HYDROXYMETHYL)PROPYL)-6-METHYL-9,10-DIDEHYDROERGOLINE-8-CARBOXAMIDE,H8D,METHYLERGOMETRINE [WHO-DD],KBioSS_000743,METHYLERGOMETRINE [HSDB],BPBio1_000442, Methylergometrinum [INN-Latin],Methergen,Lysergic acid butanolamide,Ergometrine, methyl-,(8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide, D-Lysergic acid-dl-hydroxybutylamide-2,D-Lysergic acid-(+)-butanolamide-(2), Metilergometrina [DCIT], ME 277,SDCCGSBI-0050771.P005,IDI1_000357, Methylergonovin,DivK1c_000357,D-lysergic acid 1-butanolamide,CHEMBL1201356, Methylergometrine maleate, Ergotyl,N-(alpha-(Hydroxymethyl)propyl)-D-lysergamide,SCHEMBL78176,Methylergonovine,BSPBio_000527,DSSTox_CID_3283,Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-1-(hydroxymethyl)propyl)-6-methyl-, Methylergometrine (INN),AB00053497_03,BRD-K34685430-050-04-2, Metilergometrinio,NCGC00017258-12, 9,10-Didehydro-N-(alpha-(hydroxymethyl)propyl)-6-methyl-ergoline-8-beta-carboxamide,KBio2_005879,BRD-K34685430-050-06-7, Metilergometrina, Spametrin-M,UNII-W53L6FE61V,Partergin,Methylergonovin, Ryegonovin,METHYLERGOMETRINE [INN],Methylergobasine,D-Lysergic acid-dl-hydroxybutylamide-2,Methylergometrinum, Partergin, Methergine (TN),W53L6FE61V,KBio2_000743,Ergotyl, Metilergometrinio [INN-Spanish], N-(alpha-(Hydroxymethyl)propyl)-D-lysergamide,Methylergobasin, Methergin,ME 277,methylergonovine,NCGC00017258-03,BRD-K34685430-001-01-1,Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-, (8beta(S))-,NCGC00017258-08,HSDB 3364, Methylergometrine, Lysergic acid butanolamide,(8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide,(4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,9,12(16),13-pentaene-4-carboxamide,NCGC00017258-04,BSPBio_002023,Tox21_110809,Spectrum3_000502,DSSTox_RID_76957,CAS-113-42-8, 9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-6-methylergoline-8-carboxamide,NCGC00017258-05,Methylergometrinum [INN-Latin],Methergine,KBio1_000357,Methylergometrine (INN),Q424477,CCG-204878,Methylergometrine maleate,Metilergometrinio,Methylergometrin, Methergen,ZINC95619105,Lysergamide, N-((S)-1-(hydroxymethyl)propyl)-,Metilergometrina [DCIT],SBI-0050771.P004, Methylergometrinum,Lopac0_000794,CHEBI:92607,EN300-6481358,N-(1-Hydroxybutan-2-yl)lysergamide,GTPL150,Methylergobrevin,EINECS 204-027-0, D-Lysergic acid-(+)-butanolamide-(2),BDBM50330860, Methylergometrine [INN:BAN],Metilergometrina, Methylergobrevin,Tox21_110809_1, Methylergobasin,DB00353,KBio3_001523,DSSTox_GSID_23283,KBio2_003311, Methylergometrin, Methylergobasine, (8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide,(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide,NCGC00024646-02,(4R,7R)-N-[(2S)-1-hydroxybutan-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,113-42-8,9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-6-methylergoline-8-carboxamide, Ergotyl (TN),Ergotyl (TN),SPBio_000546,Spectrum5_001879,D08207,Methylergometrine [INN:BAN],METHYLERGONOVINE [MI],AB00514664,Methylergometrine,Spectrum_000263, Metenarin,BPBio1_000581,METHYLERGONOVINE [VANDF],Metilergometrinio [INN-Spanish],NCGC00024646-03,NCGC00017258-06,Basofortina,Biomol-NT_000154,9,10-Didehydro-N-(alpha-(hydroxymethyl)propyl)-6-methyl-ergoline-8-beta-carboxamide,DTXSID00904978,Prestwick3_000374,Spectrum2_000613

Estimated data

Solubility: -2.603 (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)

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.