Ergotamine
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Ergotamine
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Ergotamine
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Data
InChI: InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)
Synonyms: Ergotamine (INN), Ergotamine (INN),(5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione, Lingraine, Migretamine,379-79-3,Ergotamine dried down 100 microg/mL,(5''alpha)-12''-hydroxy-2''-methyl-5''-(phenylmethyl)ergotoman-3'',6'',18-trione,(5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman,Cafergot,Q419186,Ergostat,GTPL149, Secagyn,Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1), Ergostat,DB00696, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt),PR834Q503T,Ergonsvine,(5''alpha)-5''-benzyl-12''-hydroxy-2''-methyl-3'',6'',18-trioxoergotaman,12''-hydroxy-2''-methyl-5''alpha-(phenylmethyl)ergotaman-3'',6'',18-trione, Ergotamine tartrate (VAN), Ergotamina [INN-Spanish],(5alpha,5'beta)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman,ZINC52955754, Lingran,EINECS 204-023-9,113-15-5, Ergotaminum [INN-Latin], Ergotamine tartrate, Avetol, Cornutamin, Ergam, Ergotartrate, Secupan,SCHEMBL1483,BDBM50027065, Ergotamine [INN:BAN],DTXSID9043774,Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt),1080650-16-3, Wigrettes,NCGC00356592-02, 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione, Cornutamin, Cornutamine, Ergam,Bellergal, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-(9CI), Ergonsvine,ERGOTAMINE [MI], Ergotamin,(5'-alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione,CHEBI:64318, Rigetamin,Ergotamine,Ergotamine [INN:BAN],ERGOTAMINE [VANDF],AKOS015896505,Ergotamina [INN-Spanish], Ergotamine tartrate,BRN 0078890,CHEMBL442,ERGOTAMINE [HSDB],Ergodryl,(4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-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, Ergotartrate,NSC 95090,D07906, Ergomar (TN), ETIN,Ergomar,Ergotamine bitartrate, Ergotamine hemitartrate, (5'A)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman 2,3-dihydroxybutanedioate(2:1),HMS2089H22,Cafertine, Ergotamine, tartrate (2:1) (salt) (8CI),Gynergen,ergotaminum,UNII-PR834Q503T, Ergomar, Ergoton-A,Ergotamin,HSDB 4076,ERM, Neo-ergotin,N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-8,9,10,10a-tetrahydro-5H-oxazolo[[?]]pyrrolo[[?]]pyrazin-2-yl]-methyl-[?]carboxamide,ERGOTAMINE [WHO-DD],12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione,Ergotamina,ergotamine tartrate, Gotamine tartrate, Medihaler ergotamine,Rigetamin, ERGOTAMINE (SEE ALSO: ERGOTAMINE TARTRATE (CAS 379-79-3)), Femergin,AB01275473-01, Exmigra,Avetol, Ergotamine, tartrate (2:1), Ergate,NSC-95090,ERGOTAMINE [INN],Ergotamine tartrate, Avetol, Cornutamin, Ergam, Ergotartrate,DHE,Ergotaminum [INN-Latin], Ergotamine bitartrate,Migergot, Temigran,ERGOTAMINE
Estimated data
Solubility: -4.541 (log(S) in mol/L prediction using SolTranNet)
Blood Brain Barrier Permeability: No (prediction using frontiersin.org)
Addictivity Prediction: 8.2% (prediction based on www.mdpi.com)
