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Bisdethiobis(methylthio)gliotoxin

  • Formula: C15H20N2O4S2

  • Molecular weight: 356.50

  • Smiles: CN1C(=O)C2(CC3=CC=CC(C3N2C(=O)C1(CO)SC)O)SC

  • Type: Epipolythiopiperazine-3,6-dione

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Bisdethiobis(methylthio)gliotoxin

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

Names

  • Mycotoxin name: Bisdethiobis(methylthio)gliotoxin

  • First synonym: Bisdethiobis(methylthio)gliotoxin

  • Synonyms: Bisdethiobis(methylthio)gliotoxin,74149-38-5,bis(methylthio)gliotoxin,FR-49175,FR 49175,(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione,CHEMBL1088981,dimethylgliotoxin,AC1L4YI4,BmGT,S,S-Dimethyl gliotoxin,bis(methylsulfanyl)gliotoxin,Bis(methylthio)gliotoxin, 99%,GTPL3150,SCHEMBL18652994,DTXSID70995590,3R,10Ar-Dithiomethyl Gliotoxin A,ZINC5599818,BDBM50315535,MFCD00133146,MCULE-1105801460,NCGC00380667-01,Q27077740,(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-1H,2H,3H,4H,5aH,6H,10H,10aH-piperazino[1,2-a]indole-1,4-dione,(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-2,3,5a,6,10,10a-hexahydropyrazino[1,2-a]indole-1,4-dione,6-Hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-2,3,5a,6,10,10a-hexahydropyrazino[1,2-a]indole-1,4-dione,NCGC00380667-01_C15H20N2O4S2_Pyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-, (3R,5aS,6S,10aR)-,Pyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-, (3R-(3alpha,5abeta,6beta,10aalpha))-

Identifiers / External links

Structure

  • Smiles: CN1C(=O)C2(CC3=CC=CC(C3N2C(=O)C1(CO)SC)O)SC

  • Isomeric smiles: CN1C(=O)[C@@]2(CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CO)SC)O)SC

  • Inchi: InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1

  • Inchikey: OVBAGMZLGLXSBN-UOVKNHIHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20N2O4S2

  • Molecular weight: 356.50

  • Monoisotopic mass: 356.08644947

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