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Substance Name: 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester)
RN: 29762-25-2
InChIKey: QLYAMRRLJDIHHT-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C20-H18-N2-O6-S2

Molecular Weight

  • 368.4324
 
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Names and Synonyms

Synonym

  • Gliotoxin monoacetate

Systematic Name

  • 10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, monoacetate (ester)

Registry Numbers

CAS Registry Number

  • 29762-25-2

System Generated Number

  • 0029762252

Structure Descriptors

InChI

1S/C15H16N2O5S2/c1-8(18)22-7-15-13(21)17-11-9(4-3-5-10(11)19)6-14(17,23-24-15)12(20)16(15)2/h3-5,10-11,19H,6-7H2,1-2H3

InChIKey

QLYAMRRLJDIHHT-UHFFFAOYSA-N

Smiles

CC(=O)OCC12C(=O)N3C4C(C=CC=C4CC3(C(=O)N1C)SS2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 165, 1980.