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Ergotocine

  • Formula: C19H23N3O2

  • Molecular weight: 325.40

  • Smiles: CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

  • Type: Ergot alkaloid

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Ergotocine

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Ergotocine

  • First synonym: None

  • Synonyms: Ergometrine,ERGONOVINE,Ergobasine,Ergotocine,Ergostetrine,Ergometrin,Margonovine,60-79-7,Ergotrate,Ergoklinine,Secacornin,Secometrin,Ergometrinum,Ergometrina,Neofemergen,Basergin,D-Lysergic acid-L-propanolamide,Ergometrine [INN:BAN],Lysergic acid propanolamide,Ergometrina [INN-Spanish],D-Lysergic acid 1-hydroxymethylethylamide,Ergometrinum [INN-Latin],Ergometrine (INN),N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide,HSDB 4075,EINECS 200-485-0,UNII-WH41D8433D,9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide,DTXSID8046323,ERGONOVINE [MI],9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide,ERGOMETRINE [INN],ERGONOVINE [HSDB],ERGONOVINE [VANDF],Lysergamide, N-((S)-2-hydroxy-1-methylethyl)-,ERGOMETRINE [WHO-DD],CHEBI:4822,DTXCID6026323,N-(2-Hydroxy-1-methylethyl)-D-(+)-lysergamide,WH41D8433D,Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, (8beta(S))-,(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide,Ergometrine (TN),Ergometrinum (INN-Latin),Ergometrina (INN-Spanish),[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-,N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide,Ergoatetrine,(6aR,9R)-N-((S)-1-hydroxypropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide,9,10-DIDEHYDRO-N-((S)-2-HYDROXY-1-METHYLETHYL)-6-METHYLERGOLINE-8.BETA.-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,ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-(2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8.BETA.(S))-,Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8.beta.(S)]-,L-Lysergic-L(beta-hydroxyisopropylamide),N-(1-(Hydroxymethyl)ethyl)-D-lysergamide,Lysergamide, N-[(S)-2-hydroxy-1-methylethyl]-,N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide,9,10-Didehydro-N-[(S)-2-hydroxy-1-methylethyl]-6-methylergoline-8.beta.-carboxamide,N-((2S)-1-hydroxypropan-2-yl)-6-methyl-9,10-didehydroergoline-8beta-carboxamide,NCGC00163165-01,(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(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide,(4R,7R)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide,ergonovine ergobasine,N-(.alpha.-(Hydroxymethyl)ethyl)-D-lysergomide,SCHEMBL78181,GTPL148,CHEMBL119443,G02AB03,9,10-Didehydro-N-(.alpha.-(hydroxymethyl)ethyl)-6-methylergoline-8-.beta.-carboxamide,Ergoline-8-.beta.-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-,WVVSZNPYNCNODU-XTQGRXLLSA-N,Tox21_112022,BDBM50390991,AKOS024282585,Ergometrine dried down 100 microg/mL,DB01253,CAS-60-79-7,SMP1_000118,NCGC00017253-03,D-LYSERGIC ACID L-2-PROPANOLAMIDE,NS00001637,N-(alpha-(Hydroxymethyl)ethyl)-D-lysergomide,C07543,D07905,N-(1-HYDROXYMETHYL)ETHYL)-D-LYSERGOMIDE,Q424508,9,10-DIDEHYDRO-N-((S)-2-HYDROXY-1-METHYLETHYL)-6-METHYLERGOLINE-8BETA-CARBOXAMIDE,9,10-DIHYDRO-N-(ALPHA-(HYDROXYMETHYL)ETHYL)-6-METHYLERGOLINE-8-BETA-CARBOXAMIDE,(8BETA (S))-9,10-DIDEHYDRO-N-(2-HYDROXY-1-METHYLETHYL)-6-METHYLERGO LINE-8-CARBOXAMIDE,(9R)-N-((S)-1-hydroxypropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide,ERGOLINE-8BETA-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((S)-2-HYDROXY-1-METHYLETHYL)-6-METHYL-

Identifiers / External links

Structure

  • Smiles: CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

  • Isomeric smiles: C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

  • 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

  • Inchikey: WVVSZNPYNCNODU-XTQGRXLLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H23N3O2

  • Molecular weight: 325.40

  • Monoisotopic mass: 325.17902698

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