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Isolysergic acid

  • Formula: C16H16N2O2

  • Molecular weight: 268.31

  • Smiles: CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O

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Isolysergic acid

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

Names

  • Mycotoxin name: Isolysergic acid

  • First synonym: Isolysergic acid

  • Synonyms: Isolysergic acid,478-95-5,UNII-27ZA71OH94,27ZA71OH94,(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid,Iso-lysergic acid diethylamide,SCHEMBL1371966,(8alpha)-9,10-Didehydro-6-methylergoline-8-carboxylic acid,DTXSID301016843,ZINC897013,Q27254242,Ergoline-8-carboxylic acid, 9,10-didehydro-6-methyl-, (8alpha)-,(6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid

Identifiers / External links

Structure

  • Smiles: CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O

  • Isomeric smiles: CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)O

  • Inchi: InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14+/m0/s1

  • Inchikey: ZAGRKAFMISFKIO-IINYFYTJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H16N2O2

  • Molecular weight: 268.31

  • Monoisotopic mass: 268.121177757

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