This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Ergonovine

PubChem CID: 443884

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms Ergometrine, ERGONOVINE, Ergobasine, Ergotocine, Ergostetrine, Ergometrin, Margonovine, 60-79-7, Ergotrate, Ergoklinine, Ergometrina, Secacornin, Secometrin, Ergometrinum, 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-
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 68.4
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CC1CCC3CCCC2C31
Np Classifier Class Ergot alkaloids
Deep Smiles OC[C@@H]NC=O)[C@H]CNC)[C@H]C=C6)cccccc6cC%10)c[nH]5))))))))))))))))C
Heavy Atom Count 24.0
Classyfire Class Ergoline and derivatives
Scaffold Graph Node Level C1CNC2CC3CNC4CCCC(C2C1)C34
Classyfire Subclass Lysergic acids and derivatives
Isotope Atom Count 0.0
Molecular Complexity 535.0
Database Name hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Uniprot Id P08684, P08183, P35348, P28221, Q03164, Q99714, P46063, B2RXH2, P55210, P10636, P25779, P00352, O97447, P15428, P29466, Q13951, Q9HC16, Q9UBT6, P08913, P18089, P21728, P14416, P35462, P19327, P28564, P28223, P41595, P28335, P50406, P06795, P21447, Q9NUW8, P27695, n.a., P10275
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
Class Ergoline and derivatives
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Xlogp 1.8
Superclass Alkaloids and derivatives
Subclass Lysergic acids and derivatives
Gsk 4 400 Rule True
Molecular Formula C19H23N3O2
Scaffold Graph Node Bond Level C1=C2c3cccc4[nH]cc(c34)CC2NCC1
Inchi Key WVVSZNPYNCNODU-XTQGRXLLSA-N
Silicos It Class Moderately soluble
Rotatable Bond Count 3.0
State Solid
Synonyms (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, 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, [8beta(S)]-9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide, D-Lysergic acid 1-hydroxymethylethylamide, D-Lysergic acid-L-propanolamide, Ergobasine, Ergometrina, Ergometrinum, Ergotocine, Margonovine, N-(2-Hydroxy-1-methylethyl)-D-(+)-lysergamide, N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide, Ergometrine, (6AR,9R)-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-FG]quinoline-9-carboxylate ((S)-2-hydroxy-1-methyl-ethyl)-amide, 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8b(S)-carboxamide, 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8β(S)-carboxamide, 9,10-Didehydro-N-(a-(hydroxymethyl)ethyl)-6-methylergoline-8-b-carboxamide, 9,10-Didehydro-N-(α-(hydroxymethyl)ethyl)-6-methylergoline-8-β-carboxamide, [8b(S)]-9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide, [8Β(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide, D-Lysergate 1-hydroxymethylethylamide, D-Lysergate-L-propanolamide, N-(a-(Hydroxymethyl)ethyl)-D-lysergamide, N-(Α-(hydroxymethyl)ethyl)-D-lysergamide, Ergotrate maleate, Bedford brand OF ergonovine maleate, Ergobasin, Ergometrin, Ergotrate, Ergometrine maleate, Ergonovine maleate, Ergonovine, ergometrine, ergonovine
Esol Class Soluble
Functional Groups CN(C)C, CNC(C)=O, CO, cC(C)=CC, c[nH]c
Compound Name Ergonovine
Kingdom Organic compounds
Exact Mass 325.179
Formal Charge 0.0
Monoisotopic Mass 325.179
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 325.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 3.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
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
Smiles C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Lysergamides
Np Classifier Superclass Tryptophan alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Argyreia Imbricata (Plant) Rel Props:Reference:ISBN:9788172360481
  • 2. Outgoing r'ship FOUND_IN to/from Argyreia Nervosa (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 3. Outgoing r'ship FOUND_IN to/from Cynodon Dactylon (Plant) Rel Props:Reference:ISBN:9788171360536
  • 4. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:ISBN:9788172361150
  • 5. Outgoing r'ship FOUND_IN to/from Ipomoea Nil (Plant) Rel Props:Reference:ISBN:9788172361150
  • 6. Outgoing r'ship FOUND_IN to/from Ipomoea Violacea (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
  • 7. Outgoing r'ship FOUND_IN to/from Saraca Asoca (Plant) Rel Props:Reference:ISBN:9780387706375
  • 8. Outgoing r'ship FOUND_IN to/from Turbina Corymbosa (Plant) Rel Props:Reference:ISBN:9780387706375
Back to Browse   Back to Home