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Terezine b

  • Formula: C16H22N2O5

  • Molecular weight: 322.36

  • Smiles: CC(C)C1(C(=O)NC(C(=N1)OC)(C(C2=CC=CC=C2)O)O)OC

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Terezine b

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

  • Mycotoxin name: Terezine b

  • First synonym: Terezine b

  • Synonyms: Terezine B,CHEMBL471391

Identifiers / External links

Structure

  • Smiles: CC(C)C1(C(=O)NC(C(=N1)OC)(C(C2=CC=CC=C2)O)O)OC

  • Isomeric smiles: CC(C)[C@@]1(C(=O)N[C@](C(=N1)OC)([C@@H](C2=CC=CC=C2)O)O)OC

  • Inchi: InChI=1S/C16H22N2O5/c1-10(2)16(23-4)13(20)17-15(21,14(18-16)22-3)12(19)11-8-6-5-7-9-11/h5-10,12,19,21H,1-4H3,(H,17,20)/t12-,15-,16+/m1/s1

  • Inchikey: GOQWKAOJTXJMMW-WQVCFCJDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H22N2O5

  • Molecular weight: 322.36

  • Monoisotopic mass: 322.15287181

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