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Polanrazine b

  • Formula: C18H23N3O2S2

  • Molecular weight: 377.50

  • Smiles: CC(C)C1(C(=O)NC(C(=O)N1)(CC2=CNC3=CC=CC=C32)SC)SC

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Polanrazine b

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

  • Mycotoxin name: Polanrazine b

  • First synonym: Polanrazine b

  • Synonyms: Polanrazine B,Polanrazine B_120170,3-(1H-Indol-3-ylmethyl)-6-isopropyl-3,6-bis-methylsulfanyl-piperazine-2,5-dione,rel-(3R,6R)-3-(1H-indol-3-ylmethyl)-6-isopropyl-3,6-bis(methylthio)piperazine-2,5-dione,2,5-piperazinedione, 3-(1H-indol-3-ylmethyl)-6-(1-methylethyl)-3,6-bis(methylthio)-, (3R,6R)-

Identifiers / External links

  • CAS: 12-10-1

  • PubChem CID: 636615

  • Chemical Entities of Biological Interest (CHEBI): CHEBI:205229

Structure

  • Smiles: CC(C)C1(C(=O)NC(C(=O)N1)(CC2=CNC3=CC=CC=C32)SC)SC

  • Isomeric smiles: CC(C)[C@]1(C(=O)N[C@](C(=O)N1)(CC2=CNC3=CC=CC=C32)SC)SC

  • Inchi: InChI=1S/C18H23N3O2S2/c1-11(2)18(25-4)16(23)20-17(24-3,15(22)21-18)9-12-10-19-14-8-6-5-7-13(12)14/h5-8,10-11,19H,9H2,1-4H3,(H,20,23)(H,21,22)/t17-,18-/m1/s1

  • Inchikey: JXDWMFMAEDSXNI-QZTJIDSGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C18H23N3O2S2

  • Molecular weight: 377.50

  • Monoisotopic mass: 377.12316933

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