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ergobasinin

  • Formula: C19H23N3O2

  • Molecular weight: 325.40

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

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ergobasinin

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

Names

  • Mycotoxin name: ergobasinin

  • First synonym: None

  • Synonyms: Ergometrinine,Ergometrinin,Ergonovinine,Ergobasinin,Ergobasinine,Isoergometrine,479-00-5,UNII-5EXN22NGMW,5EXN22NGMW,BRN 0094900,D-lysergic acid D-propanolamide,(6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide,ERGOMETRININE [MI],DTXSID90893241,4-25-00-00950 (Beilstein Handbook Reference),9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-alpha-carboxamide,Ergoline-8-alpha-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-,(8.ALPHA.)-9,10-DIDEHYDRO-N-((1S)-2-HYDROXY-1-METHYLETHYL)-6-METHYLERGOLINE-8-CARBOXAMIDE,ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((1S)-2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8.ALPHA.)-,(4S,7R)-N-((2S)-1-Hydroxypropan-2-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.0,.0,)hexadeca-1(16),2,9,12,14-pentaene-4-carboximidate,(4S,7R)-N-[(2S)-1-Hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0,.0,]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidate,(6aR,9S)-N-((2S)-1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide,Ergonovinine Ergobasinine,SCHEMBL918411,CHEMBL1555758,CHEBI:221611,DTXCID701323175,TNP00144,Ergometrinine dried down 25 microg/mL,NCGC00017253-01,NS00094894,ERGOMETRINE MALEATE IMPURITY F [EP IMPURITY],Q15633935,(8alpha)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide,(6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide,(6aR,9S)-N-[(S)-1-hydroxypropan-2-yl]-7-methyl- 4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide,(8ALPHA)-9,10-DIDEHYDRO-N-((1S)-2-HYDROXY-1-METHYLETHYL)-6-METHYLERGOLINE-8-CARBOXAMIDE,ERGOLINE-8-CARBOXAMIDE, 9,10-DIDEHYDRO-N-((1S)-2-HYDROXY-1-METHYLETHYL)-6-METHYL-, (8ALPHA)-

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-PLQHRBFRSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H23N3O2

  • Molecular weight: 325.40

  • Monoisotopic mass: 325.17902698

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