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Metacytofilin

  • Formula: C16H22N2O4

  • Molecular weight: 306.36

  • Smiles: CC(C)CC1(C(=O)NC(C(=O)O1)(CC2=CC=CC=C2)O)NC

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Metacytofilin

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

  • Mycotoxin name: Metacytofilin

  • First synonym: Metacytofilin

  • Synonyms: Metacytofilin,145398-57-8,(3R,6R)-3-benzyl-3-hydroxy-6-(methylamino)-6-(2-methylpropyl)morpholine-2,5-dione,trans-3-Hydroxy-6-(methylamino)-6-(2-methylpropyl)-3-(phenylmethyl)-2,5-morpholinedione,DTXSID90932583,2,5-Morpholinedione, 3-hydroxy-6-(methylamino)-6-(2-methylpropyl)-3-(phenylmethyl)-, trans-,3-alpha-hydroxy-6beta-methylamino-6alpha-(2-methylpropyl)-3beta-phenylmethyl-4H-2,3,5,6-tetrahydro-1,4-oxazine-2,5-dione,3-Benzyl-3,5-dihydroxy-6-(methylamino)-6-(2-methylpropyl)-3,6-dihydro-2H-1,4-oxazin-2-one

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Structure

  • Smiles: CC(C)CC1(C(=O)NC(C(=O)O1)(CC2=CC=CC=C2)O)NC

  • Isomeric smiles: CC(C)C[C@@]1(C(=O)N[C@](C(=O)O1)(CC2=CC=CC=C2)O)NC

  • Inchi: InChI=1S/C16H22N2O4/c1-11(2)9-16(17-3)13(19)18-15(21,14(20)22-16)10-12-7-5-4-6-8-12/h4-8,11,17,21H,9-10H2,1-3H3,(H,18,19)/t15-,16-/m1/s1

  • Inchikey: DPVKIQKSCWSCBE-HZPDHXFCSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H22N2O4

  • Molecular weight: 306.36

  • Monoisotopic mass: 306.15795719

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