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4-dma-l-abrine

  • Formula: C17H21N2O2-

  • Molecular weight: 285.36

  • Smiles: CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)[O-])NC)C

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4-dma-l-abrine

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

  • Mycotoxin name: 4-dma-l-abrine

  • First synonym: 4-dma l-abrine

  • Synonyms: 4-DMA L-abrine,(2S)-2-(methylaminio)-3-[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]propanoate

Identifiers / External links

Structure

  • Smiles: CC(=CCC1=C2C(=CC=C1)NC=C2CC(C(=O)[O-])NC)C

  • Isomeric smiles: CC(=CCC1=C2C(=CC=C1)NC=C2C[C@@H](C(=O)[O-])NC)C

  • Inchi: InChI=1S/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/p-1/t15-/m0/s1

  • Inchikey: QQMWUGXCTSAHLX-HNNXBMFYSA-M

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H21N2O2-

  • Molecular weight: 285.36

  • Monoisotopic mass: 285.160302917

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