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4'-methoxycyclopenin

  • Formula: C18H16N2O4

  • Molecular weight: 324.30

  • Smiles: CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=C(C=C4)OC

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4'-methoxycyclopenin

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

  • Mycotoxin name: 4'-methoxycyclopenin

  • First synonym: (-)-4'-methoxycyclopenin

  • Synonyms: (-)-4'-methoxycyclopenin,(-)-4'-methoxycyclopenine

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Structure

  • Smiles: CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=C(C=C4)OC

  • Isomeric smiles: CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=C(C=C4)OC

  • Inchi: InChI=1S/C18H16N2O4/c1-20-16(21)13-5-3-4-6-14(13)19-17(22)18(20)15(24-18)11-7-9-12(23-2)10-8-11/h3-10,15H,1-2H3,(H,19,22)

  • Inchikey: SWIRFBNCYVYLDV-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H16N2O4

  • Molecular weight: 324.30

  • Monoisotopic mass: 324.111007

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