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Substance Name: 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine
RN: 40380-25-4
InChIKey: AHWKVWYCCGUYET-UHFFFAOYSA-N

Note

  • Isolated from fungus NRRL 3888.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C14-H16-N2-O3-S3

Molecular Weight

  • 356.489
 
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Names and Synonyms

Name of Substance

  • 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithia-3,6-diketopiperazine

Synonyms

  • 2-Benzyl-1,4-dimethyl-5-hydroxymethyl-2,5-epi-trithio-3,6-diketopiperazine
  • BRN 5410853

Systematic Names

  • 2,3,4-Trithia-6,8-diazabicyclo(3.2.2)nonane-7,9-dione, 1-(hydroxymethyl)-6,8-dimethyl-5-(phenylmethyl)-
  • 2,3,4-Trithia-6,8-diazabicyclo(3.2.2)nonane-7,9-dione, 1-benzyl-5-hydroxymethyl-6,8-dimethyl-

Registry Numbers

CAS Registry Number

  • 40380-25-4

System Generated Number

  • 0040380254

Structure Descriptors

InChI

1S/C14H16N2O3S3/c1-15-12(19)14(9-17)16(2)11(18)13(15,20-22-21-14)8-10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3

InChIKey

AHWKVWYCCGUYET-UHFFFAOYSA-N

Smiles

S1[C@@]2(C(N([C@@](SS1)(C(N2C)=O)Cc1ccccc1)C)=O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 24mg/kg (24mg/kg)   "Antibiotics: Origin, Nature, and Properties," Korzyoski, T., et al., eds., Washington, DC, American Soc. for Microbiology, 1978Vol. 3, Pg. 1935, 1978.