| 2D Structure | |
| CID | 443884 |
| IUPAC Name | (6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| 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)/t11-,13+,17+/m0/s1 |
| InChI Key | WVVSZNPYNCNODU-XTQGRXLLSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C19H23N3O2 |
| Molecular Weight | 325.4 |
| synonyms | ['Ergometrine', 'ERGONOVINE', 'Ergobasine', 'Ergotocine', 'Ergostetrine', '60-79-7', 'Ergometrin', 'Margonovine', 'Ergometrina', 'Ergoklinine', 'Ergometrinum', 'Secacornin', 'Secometrin', 'D-Lysergic acid-L-propanolamide', 'Lysergic acid propanolamide', 'D-Lysergic acid 1-hydroxymethylethylamide', 'N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide', 'L-Lysergic-L(beta-hydroxyisopropylamide)', 'N-(1-(Hydroxymethyl)ethyl)-D-lysergamide', 'N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide', '9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide', '9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide', 'CHEBI:4822', 'DTXSID8046323', 'WH41D8433D', 'DTXCID6026323', 'N-(2-Hydroxy-1-methylethyl)-D-(+)-lysergamide', '(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide', '[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-', '(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', '(8beta(S))-9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide', '(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', '(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', '(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', '(6aR,9R)-N-((2S)-1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide', 'G02AB03', '(4R,7R)-N-((2S)-1-hydroxypropan-2-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide', '200-485-0', 'Ergobasin', 'Ergotrate', 'Ergometrine (INN)', 'ERGOMETRINE [INN]', 'Ergometrine [INN:BAN]', '(6aR,9R)-N-((S)-1-hydroxypropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide', 'Ergometrina [INN-Spanish]', 'Lysergamide, N-((S)-2-hydroxy-1-methylethyl)-', 'Ergometrinum [INN-Latin]', 'HSDB 4075', 'EINECS 200-485-0', 'UNII-WH41D8433D', 'NCGC00163165-01', 'ergonovine; ergobasine', 'ERGONOVINE [MI]', 'ERGONOVINE [HSDB]', 'ERGONOVINE [VANDF]', 'Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, (8beta(S))-', 'SCHEMBL78181', 'ERGOMETRINE [WHO-DD]', 'GTPL148', 'CHEMBL119443', 'SCHEMBL29598887', 'WVVSZNPYNCNODU-XTQGRXLLSA-N', '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))-', 'Tox21_112022', 'BDBM50390991', 'AKOS024282585', 'Ergometrine dried down 100 microg/mL', 'DB01253', 'CAS-60-79-7', 'N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide', 'SMP1_000118', 'NCGC00017253-03', 'ST057158', 'NS00001637', 'C07543', 'D07905', 'Q424508'] |
From Pubchem