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Ardeemin fq

  • Formula: C21H18N4O2

  • Molecular weight: 358.40

  • Smiles: CC1C(=O)NC(C2=NC3=CC=CC=C3C(=O)N12)CC4=CNC5=CC=CC=C54

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Ardeemin fq

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

  • Mycotoxin name: Ardeemin fq

  • First synonym: Ardeemin fq

  • Synonyms: ardeemin FQ,(1S)-1alpha-(1H-Indole-3-ylmethyl)-4beta-methyl-1,2,3,4-tetrahydro-6H-pyrazino[2,1-b]quinazoline-3,6-dione

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Structure

  • Smiles: CC1C(=O)NC(C2=NC3=CC=CC=C3C(=O)N12)CC4=CNC5=CC=CC=C54

  • Isomeric smiles: C[C@@H]1C(=O)N[C@H](C2=NC3=CC=CC=C3C(=O)N12)CC4=CNC5=CC=CC=C54

  • Inchi: InChI=1S/C21H18N4O2/c1-12-20(26)24-18(10-13-11-22-16-8-4-2-6-14(13)16)19-23-17-9-5-3-7-15(17)21(27)25(12)19/h2-9,11-12,18,22H,10H2,1H3,(H,24,26)/t12-,18+/m1/s1

  • Inchikey: FHOFNRAVYAGXCQ-XIKOKIGWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H18N4O2

  • Molecular weight: 358.40

  • Monoisotopic mass: 358.14297583

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